(3S)-1-(2-methylphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2-methylphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(o-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(2-methylphenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(o-tolyl)pyrrolidine-2,5-quinone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O2/c1-17-7-5-6-10-20(17)25-22(26)16-21(23(25)27)24-13-11-19(12-14-24)15-18-8-3-2-4-9-18/h2-10,19,21H,11-16H2,1H3/p+1/t21-/m0/s1