1-(2,5-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H23N3/c1-15-5-6-16(2)18(12-15)21-10-8-20(9-11-21)14-17-4-3-7-19-13-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1