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

Systemtic Name: 3,3-dimethyl-8-(2-methylpropyl)-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isobutyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-(2-methylpropyl)-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isobutyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H30N4O+2 MolecularWeight: 330.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

Isomeric SMILES

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

InChI

InChI=1S/C19H28N4O/c1-13(2)9-17-16-12-24-19(3,4)10-14(16)15(11-20)18(22-17)23-7-5-21-6-8-23/h13,21H,5-10,12H2,1-4H3/p+2