N-[3-[methyl(phenyl)amino]propyl]-2-piperidin-1-ium-4-yl-ethanamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-piperidin-1-ium-4-yl-ethanamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-piperidin-1-ium-4-yl-acetamide CAS Name: N-[3-(N-methylanilino)propyl]-2-(4-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-piperidin-1-ium-4-ylacetamide Traditional Name: N-[3-(N-methylanilino)propyl]-2-piperidin-1-ium-4-yl-acetamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)CC1CC[NH2+]CC1)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)CC1CC[NH2+]CC1)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-20(16-6-3-2-4-7-16)13-5-10-19-17(21)14-15-8-11-18-12-9-15/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,19,21)/p+1