(3R)-4-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)ethyl]-4-(p-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxo-2-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyrrolidin-1-ium-1-ylpiperidino)ethyl]-4-(4-methylbenzyl)piperazin-4-ium-2-one Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)[NH+]4CCCC4

InChI

InChI=1S/C23H34N4O2/c1-18-4-6-19(7-5-18)17-27-15-10-24-23(29)21(27)16-22(28)26-13-8-20(9-14-26)25-11-2-3-12-25/h4-7,20-21H,2-3,8-17H2,1H3,(H,24,29)/p+2/t21-/m1/s1