8-ethyl-3,3-dimethyl-6-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-ethyl-3,3-dimethyl-6-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)(C)C

InChI

InChI=1S/C24H27N5O3S/c1-4-21-20-15-33-24(2,3)13-18(20)19(14-25)22(26-21)27-9-11-28(12-10-27)23(30)16-5-7-17(8-6-16)29(31)32/h5-8H,4,9-13,15H2,1-3H3/p+1