8-butyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-butyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-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:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

InChI

InChI=1S/C19H28N4O/c1-4-5-6-17-16-13-24-19(2,3)11-14(16)15(12-20)18(22-17)23-9-7-21-8-10-23/h21H,4-11,13H2,1-3H3/p+2