N-(4-ethanoylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-(4-benzylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-(4-benzylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-acetylphenyl)-3-(4-benzylpiperazin-1-ium-1-yl)propionamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-18(26)20-7-9-21(10-8-20)23-22(27)11-12-24-13-15-25(16-14-24)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,27)/p+1