N-[3-[methyl(phenyl)amino]propyl]-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[3-(N-methylanilino)propyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-[3-(N-methylanilino)propyl]-2-piperazin-1-ium-1-yl-acetamide Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C[NH+]1CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C[NH+]1CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H26N4O/c1-19(15-6-3-2-4-7-15)11-5-8-18-16(21)14-20-12-9-17-10-13-20/h2-4,6-7,17H,5,8-14H2,1H3,(H,18,21)/p+1