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

Systemtic Name: (3R)-3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxo-ethyl]-4-(o-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-cyclopentyl-1-piperazinyl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-cyclopentylpiperazino)-2-keto-ethyl]-4-(2-methylbenzyl)piperazin-4-ium-2-one Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4CCCC4

InChI

InChI=1S/C23H34N4O2/c1-18-6-2-3-7-19(18)17-27-11-10-24-23(29)21(27)16-22(28)26-14-12-25(13-15-26)20-8-4-5-9-20/h2-3,6-7,20-21H,4-5,8-17H2,1H3,(H,24,29)/p+1/t21-/m1/s1