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

Systemtic Name: 3,3-dimethyl-6-piperazin-4-ium-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isopropyl-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-6-(1-piperazin-4-iumyl)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-piperazin-4-ium-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isopropyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

Isomeric SMILES

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

InChI

InChI=1S/C18H26N4O/c1-12(2)16-15-11-23-18(3,4)9-13(15)14(10-19)17(21-16)22-7-5-20-6-8-22/h12,20H,5-9,11H2,1-4H3/p+2