2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N)OC)OC

InChI

InChI=1S/C20H24N4O2/c1-15-11-18(25-2)19(26-3)12-17(15)14-23-7-9-24(10-8-23)20-16(13-21)5-4-6-22-20/h4-6,11-12H,7-10,14H2,1-3H3/p+1