3,3-dimethyl-6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)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-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)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-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-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-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isopropyl-6-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H37N5O2+2 MolecularWeight: 427.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCCC4)C#N)(C)C

Isomeric SMILES

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCCC4)C#N)(C)C

InChI

InChI=1S/C24H35N5O2/c1-17(2)22-20-16-31-24(3,4)13-18(20)19(14-25)23(26-22)29-11-9-27(10-12-29)15-21(30)28-7-5-6-8-28/h17H,5-13,15-16H2,1-4H3/p+2