4-[5-cyano-3,3-dimethyl-8-(phenylmethyl)-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-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(8-benzyl-5-cyano-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-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-(8-benzyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 4-(8-benzyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-propyl-piperazine-1-carboxamide Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O2/c1-4-10-28-25(32)31-13-11-30(12-14-31)24-21(17-27)20-16-26(2,3)33-18-22(20)23(29-24)15-19-8-6-5-7-9-19/h5-9H,4,10-16,18H2,1-3H3,(H,28,32)/p+1