3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-cyano-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)amino]propyl-dimethyl-ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCCC[NH+](C)C)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)NCCC[NH+](C)C)C#N)C

InChI

InChI=1S/C22H28N4O/c1-22(2)13-17-18(14-23)21(24-11-8-12-26(3)4)25-20(19(17)15-27-22)16-9-6-5-7-10-16/h5-7,9-10H,8,11-13,15H2,1-4H3,(H,24,25)/p+2