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

Systemtic Name: (4-acetamidophenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-acetamidophenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-acetamidophenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-acetamidobenzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C16H25N3O/c1-14(20)18-16-7-5-15(6-8-16)13-17-9-4-12-19-10-2-3-11-19/h5-8,17H,2-4,9-13H2,1H3,(H,18,20)/p+2