2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzoylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c31-26(28-25-14-8-7-13-24(25)27(32)22-9-3-1-4-10-22)21-30-17-15-29(16-18-30)19-20-33-23-11-5-2-6-12-23/h1-14H,15-21H2,(H,28,31)/p+1