(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-4-cyclopentyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-cyclopentylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H29ClN4O2/c22-16-4-3-7-18(14-16)24-10-12-25(13-11-24)20(27)15-19-21(28)23-8-9-26(19)17-5-1-2-6-17/h3-4,7,14,17,19H,1-2,5-6,8-13,15H2,(H,23,28)/p+1/t19-/m1/s1