3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-benzyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxopentyl)-1-piperazinyl]-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-benzyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-benzyl-3,3-dimethyl-6-(4-valerylpiperazino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2/c1-4-5-11-25(32)30-12-14-31(15-13-30)26-22(18-28)21-17-27(2,3)33-19-23(21)24(29-26)16-20-9-7-6-8-10-20/h6-10H,4-5,11-17,19H2,1-3H3/p+1