(3R)-3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(1-azepan-1-iumyl)-1-(4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCCCCC3

InChI

InChI=1S/C17H22N2O2/c1-13-6-8-14(9-7-13)19-16(20)12-15(17(19)21)18-10-4-2-3-5-11-18/h6-9,15H,2-5,10-12H2,1H3/p+1/t15-/m1/s1