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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-2-29-20-11-7-6-10-19(20)26-14-12-25(13-15-26)17-21(27)24-22(28)23-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H2,23,24,27,28)/p+1