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

Systemtic Name: (3S)-1-(4-ethylphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-ethylphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethylphenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-ethylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-ethylphenyl)pyrrolidine-2,5-quinone Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c1-2-18-8-10-21(11-9-18)26-23(27)17-22(24(26)28)25-14-12-20(13-15-25)16-19-6-4-3-5-7-19/h3-11,20,22H,2,12-17H2,1H3/p+1/t22-/m0/s1