N-tert-butyl-2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-phenylpiperazino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H38N5O2+ MolecularWeight: 416.58012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H37N5O2/c1-23(2,3)24-21(29)18-25-10-7-11-26(13-12-25)19-22(30)28-16-14-27(15-17-28)20-8-5-4-6-9-20/h4-6,8-9H,7,10-19H2,1-3H3,(H,24,29)/p+1