[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] 2-cyclopentylethanoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] 2-cyclopentylethanoate Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl] 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl] 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl] ester Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c30-25(20-32-26(31)18-21-6-4-5-7-21)27-23-10-12-24(13-11-23)29-16-14-28(15-17-29)19-22-8-2-1-3-9-22/h1-3,8-13,21H,4-7,14-20H2,(H,27,30)/p+1