3,3-dimethyl-6-[(phenylmethyl)amino]-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-[(phenylmethyl)amino]-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(benzylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[(phenylmethyl)amino]-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(benzylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CSC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CC(C)C1=C2CSC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C21H25N3S/c1-14(2)19-18-13-25-21(3,4)10-16(18)17(11-22)20(24-19)23-12-15-8-6-5-7-9-15/h5-9,14H,10,12-13H2,1-4H3,(H,23,24)/p+1