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

Systemtic Name: 8-butyl-3,3-dimethyl-6-[[(2S)-1-phenylpropan-2-yl]amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-[[(2S)-1-phenylpropan-2-yl]amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-[[(2S)-1-phenylpropan-2-yl]amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-3,3-dimethyl-6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H32N3S+ MolecularWeight: 394.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)NC(C)CC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)N[C@@H](C)CC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C24H31N3S/c1-5-6-12-22-21-16-28-24(3,4)14-19(21)20(15-25)23(27-22)26-17(2)13-18-10-8-7-9-11-18/h7-11,17H,5-6,12-14,16H2,1-4H3,(H,26,27)/p+1/t17-/m0/s1