4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(5-cyano-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-(5-cyano-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-piperazine-1-carboxamide Formula: C23H36N5O2+ MolecularWeight: 414.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC(C)C

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC(C)C

InChI

InChI=1S/C23H35N5O2/c1-6-7-25-22(29)28-10-8-27(9-11-28)21-18(14-24)17-13-23(4,5)30-15-19(17)20(26-21)12-16(2)3/h16H,6-13,15H2,1-5H3,(H,25,29)/p+1