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

Systemtic Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(o-tolylmethyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-methylphenyl)methyl]-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(pyrrolidine-1-carbonyl)piperidino]ethyl]-4-(2-methylbenzyl)piperazin-4-ium-2-one Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C24H34N4O3/c1-18-6-2-3-7-20(18)17-28-15-10-25-23(30)21(28)16-22(29)26-13-8-19(9-14-26)24(31)27-11-4-5-12-27/h2-3,6-7,19,21H,4-5,8-17H2,1H3,(H,25,30)/p+1/t21-/m1/s1