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

Systemtic Name: 2-[4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C23H38N5O2+ MolecularWeight: 416.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H37N5O2/c1-2-11-24-22(29)18-26-14-16-27(17-15-26)19-23(30)25-20-7-9-21(10-8-20)28-12-5-3-4-6-13-28/h7-10H,2-6,11-19H2,1H3,(H,24,29)(H,25,30)/p+1