3-[(2-methylphenyl)carbonyl-(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[(2-methylphenyl)carbonyl-(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[(2-methylbenzoyl)-(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[[(2-methylphenyl)-oxomethyl]-(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[(2-methylbenzoyl)-(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[o-toluoyl(3-pyridylmethyl)amino]propylammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCC[NH3+])CC2=CN=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCC[NH3+])CC2=CN=CC=C2

InChI

InChI=1S/C17H21N3O/c1-14-6-2-3-8-16(14)17(21)20(11-5-9-18)13-15-7-4-10-19-12-15/h2-4,6-8,10,12H,5,9,11,13,18H2,1H3/p+1