6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O/c1-15-3-5-18(24-2)17(11-15)14-22-7-9-23(10-8-22)19-6-4-16(12-20)13-21-19/h3-6,11,13H,7-10,14H2,1-2H3/p+1