N-[4-(azepan-1-yl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O2/c31-26(27-23-10-12-24(13-11-23)30-14-6-1-2-7-15-30)22-29-18-16-28(17-19-29)20-21-32-25-8-4-3-5-9-25/h3-5,8-13H,1-2,6-7,14-22H2,(H,27,31)/p+1