3,3-dimethyl-8-(phenylmethyl)-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-(phenylmethyl)-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 8-benzyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 3,3-dimethyl-8-(phenylmethyl)-6-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 8-benzyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 8-benzyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)CC3=CC=CC=C3)N4CC[NH2+]CC4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)CC3=CC=CC=C3)N4CC[NH2+]CC4)C#N)C

InChI

InChI=1S/C22H26N4O/c1-22(2)13-17-18(14-23)21(26-10-8-24-9-11-26)25-20(19(17)15-27-22)12-16-6-4-3-5-7-16/h3-7,24H,8-13,15H2,1-2H3/p+1