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

Systemtic Name: 3,3-dimethyl-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 3,3-dimethyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 3,3-dimethyl-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 6-[(2-keto-2-pyrrolidino-ethyl)thio]-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N4CCCC4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N4CCCC4)C#N)C

InChI

InChI=1S/C21H29N5O2S/c1-21(2)11-15-16(12-22)20(29-14-18(27)25-7-3-4-8-25)24-19(17(15)13-28-21)26-9-5-23-6-10-26/h23H,3-11,13-14H2,1-2H3/p+1