4-(methoxymethyl)-6-methyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide CAS Name: 4-(methoxymethyl)-6-methyl-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(benzylamino)-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carboxamide Traditional Name: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C(=O)N)NCC2=CC=CC=C2

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C(=O)N)NCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2/c1-11-8-13(10-21-2)14(15(17)20)16(19-11)18-9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H2,17,20)(H,18,19)/p+1