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

Systemtic Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(o-tolylmethyl)-3-[2-oxo-2-(4-piperidin-1-ium-1-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxo-2-[4-(1-piperidin-1-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxo-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-piperidin-1-ium-1-ylpiperidino)ethyl]-4-(2-methylbenzyl)piperazin-4-ium-2-one Formula: C24H38N4O2+2 MolecularWeight: 414.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H36N4O2/c1-19-7-3-4-8-20(19)18-28-16-11-25-24(30)22(28)17-23(29)27-14-9-21(10-15-27)26-12-5-2-6-13-26/h3-4,7-8,21-22H,2,5-6,9-18H2,1H3,(H,25,30)/p+2/t22-/m1/s1