2-(azocan-1-ium-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O/c31-26(22-28-15-7-2-1-3-8-16-28)27-24-11-13-25(14-12-24)30-19-17-29(18-20-30)21-23-9-5-4-6-10-23/h4-6,9-14H,1-3,7-8,15-22H2,(H,27,31)/p+2