(3S)-1-[4-[(3S)-2,5-bis(oxidanylidene)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidin-1-yl]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[4-[(3S)-2,5-bis(oxidanylidene)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidin-1-yl]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-[4-[(3S)-2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidin-1-yl]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-[(3S)-2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-pyrrolidinyl]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[4-[(3S)-2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidin-1-yl]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-[4-[(3S)-2,5-diketo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidino]phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-quinone Formula: C32H32N4O4+2 MolecularWeight: 536.62088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)CC(C5=O)[NH+]6CCC7=CC=CC=C7C6

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)C[C@@H](C5=O)[NH+]6CCC7=CC=CC=C7C6

InChI

InChI=1S/C32H30N4O4/c37-29-17-27(33-15-13-21-5-1-3-7-23(21)19-33)31(39)35(29)25-9-11-26(12-10-25)36-30(38)18-28(32(36)40)34-16-14-22-6-2-4-8-24(22)20-34/h1-12,27-28H,13-20H2/p+2/t27-,28-/m0/s1