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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c25-18-9-5-4-8-17(18)24-12-10-23(11-13-24)15-19(26)22-20(27)21-14-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H2,21,22,26,27)/p+1