7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide

Systemtic Name: 7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide Openeye Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide CAS Name: 7,7-dimethyl-2-[(phenylmethyl)amino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide IUPAC Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide Traditional Name: 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1(CC2=C(CO1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C18H21N3O2/c1-18(2)9-15-13(11-23-18)8-14(16(19)22)17(21-15)20-10-12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3,(H2,19,22)(H,20,21)/p+1