3-[4-(2,2-diphenylethanoyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: 3-[4-(2,2-diphenylethanoyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: 3-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: N-(methylcarbamoyl)-3-[4-(1-oxo-2,2-diphenylethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: 3-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CC[NH+]1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)CC[NH+]1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-24-23(30)25-20(28)12-13-26-14-16-27(17-15-26)22(29)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3,(H2,24,25,28,30)/p+1