3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H26N4O3/c26-19-9-5-4-8-18(19)25-14-12-24(13-15-25)11-10-20(27)23-21(28)22-16-17-6-2-1-3-7-17/h1-9,26H,10-16H2,(H2,22,23,27,28)/p+1