2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H31N5O2/c27-17-20-9-11-21(12-10-20)18-30-13-15-31(16-14-30)19-25(32)29-24-8-4-3-7-23(24)26(33)28-22-5-1-2-6-22/h3-4,7-12,22H,1-2,5-6,13-16,18-19H2,(H,28,33)(H,29,32)/p+1