3,3-dimethyl-6-(phenylmethylsulfanyl)-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-(phenylmethylsulfanyl)-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 3,3-dimethyl-6-(phenylmethylthio)-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 6-(benzylthio)-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H26N4OS/c1-22(2)12-17-18(13-23)21(28-15-16-6-4-3-5-7-16)25-20(19(17)14-27-22)26-10-8-24-9-11-26/h3-7,24H,8-12,14-15H2,1-2H3/p+1