3,3-dimethyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-(2-morpholino-2-oxo-ethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-[(2-keto-2-morpholino-ethyl)thio]-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H31N5O3S+2 MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N4CCOCC4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N4CCOCC4)C#N)C

InChI

InChI=1S/C21H29N5O3S/c1-21(2)11-15-16(12-22)20(30-14-18(27)25-7-9-28-10-8-25)24-19(17(15)13-29-21)26-5-3-23-4-6-26/h23H,3-11,13-14H2,1-2H3/p+2