(3S)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(2-naphthyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-(2-naphthalenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-ylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(2-naphthyl)pyrrolidine-2,5-quinone Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H29N5O2/c1-17(2)25-27-18(3)14-23(28-25)30-12-10-29(11-13-30)22-16-24(32)31(26(22)33)21-9-8-19-6-4-5-7-20(19)15-21/h4-9,14-15,17,22H,10-13,16H2,1-3H3/p+1/t22-/m0/s1