(3R)-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-4-cyclopentyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-cyclopentylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Formula: C22H32ClN4O2+ MolecularWeight: 419.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C22H31ClN4O2/c1-16-6-7-17(23)14-19(16)25-10-12-26(13-11-25)21(28)15-20-22(29)24-8-9-27(20)18-4-2-3-5-18/h6-7,14,18,20H,2-5,8-13,15H2,1H3,(H,24,29)/p+1/t20-/m1/s1