2-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C21H27N4+ MolecularWeight: 335.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=C(C(=CC(=N3)C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=C(C(=CC(=N3)C)C)C#N)C

InChI

InChI=1S/C21H26N4/c1-15-5-6-19(16(2)11-15)14-24-7-9-25(10-8-24)21-20(13-22)17(3)12-18(4)23-21/h5-6,11-12H,7-10,14H2,1-4H3/p+1