4,6-dimethyl-2-(3-phenylpropylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-(3-phenylpropylamino)pyridin-1-ium-3-carboxamide Openeye Name: 4,6-dimethyl-2-(3-phenylpropylamino)pyridin-1-ium-3-carboxamide CAS Name: 4,6-dimethyl-2-(3-phenylpropylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4,6-dimethyl-2-(3-phenylpropylamino)pyridin-1-ium-3-carboxamide Traditional Name: 4,6-dimethyl-2-(3-phenylpropylamino)pyridin-1-ium-3-carboxamide Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)NCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)NCCCC2=CC=CC=C2)C

InChI

InChI=1S/C17H21N3O/c1-12-11-13(2)20-17(15(12)16(18)21)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,18,21)(H,19,20)/p+1