1-[(6-chloranylpyridin-3-yl)methyl]-4-(3-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(3-methylphenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(m-tolyl)piperazin-1-ium CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(3-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(3-methylphenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(m-tolyl)piperazin-1-ium Formula: C17H21ClN3+ MolecularWeight: 302.82174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3/c1-14-3-2-4-16(11-14)21-9-7-20(8-10-21)13-15-5-6-17(18)19-12-15/h2-6,11-12H,7-10,13H2,1H3/p+1