3,3-dimethyl-6-[(phenylmethyl)amino]-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-[(phenylmethyl)amino]-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(benzylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[(phenylmethyl)amino]-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(benzylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylamino)-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C21H25N3O/c1-4-8-19-18-14-25-21(2,3)11-16(18)17(12-22)20(24-19)23-13-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11,13-14H2,1-3H3,(H,23,24)/p+1