2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c30-25(27-19-21-8-3-1-4-9-21)20-28-14-16-29(17-15-28)26(31)22-10-7-13-24(18-22)32-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)/p+1