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

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-2-30-21-11-7-6-10-20(21)27-16-14-26(15-17-27)13-12-22(28)25-23(29)24-18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H2,24,25,28,29)/p+1