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

Systemtic Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-benzyl-6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxobutyl)-1-piperazinyl]-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-benzyl-6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-benzyl-6-(4-butyrylpiperazino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2/c1-4-8-24(31)29-11-13-30(14-12-29)25-21(17-27)20-16-26(2,3)32-18-22(20)23(28-25)15-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-16,18H2,1-3H3/p+1