2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O2/c27-21(23-11-10-20-8-4-3-5-9-20)18-24-14-16-25(17-15-24)19-22(28)26-12-6-1-2-7-13-26/h3-5,8-9H,1-2,6-7,10-19H2,(H,23,27)/p+1