(4-acetamidophenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (4-acetamidophenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-acetamidophenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-acetamidophenyl)methyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-acetamidobenzyl)-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C17H27N3O/c1-15(21)19-17-8-6-16(7-9-17)14-18-10-5-13-20-11-3-2-4-12-20/h6-9,18H,2-5,10-14H2,1H3,(H,19,21)/p+2