(3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-quinone Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)CC(C2=O)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H22N2O2/c21-17-11-16(18(22)20(17)15-7-3-4-8-15)19-10-9-13-5-1-2-6-14(13)12-19/h1-2,5-6,15-16H,3-4,7-12H2/p+1/t16-/m0/s1