4-(5-cyano-3,3-dimethyl-8-propan-2-yl-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-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(5-cyano-8-isopropyl-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-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-piperazine-1-carboxamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c1-6-7-24-21(28)27-10-8-26(9-11-27)20-17(13-23)16-12-22(4,5)29-14-18(16)19(25-20)15(2)3/h15H,6-12,14H2,1-5H3,(H,24,28)/p+1