4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O2/c1-14(2)19-16(22)13-20-8-10-21(11-9-20)17(23)18-12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,23)(H,19,22)/p+1