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

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(2,6-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2,6-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(2,6-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(2,6-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2,6-dimethylphenyl)piperazin-1-ium Formula: C18H23ClN3+ MolecularWeight: 316.84832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3/c1-14-4-3-5-15(2)18(14)22-10-8-21(9-11-22)13-16-6-7-17(19)20-12-16/h3-7,12H,8-11,13H2,1-2H3/p+1