7,7-dimethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 7,7-dimethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-isopropoxyphenyl)methylamino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile CAS Name: 7,7-dimethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile IUPAC Name: 7,7-dimethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-isopropoxybenzyl)amino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC2=[NH+]C3=C(COC(C3)(C)C)C=C2C#N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC2=[NH+]C3=C(COC(C3)(C)C)C=C2C#N

InChI

InChI=1S/C21H25N3O2/c1-14(2)26-18-7-5-15(6-8-18)12-23-20-16(11-22)9-17-13-25-21(3,4)10-19(17)24-20/h5-9,14H,10,12-13H2,1-4H3,(H,23,24)/p+1