(6-chloranylpyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H21ClN3O+ MolecularWeight: 330.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O/c1-14-4-2-3-5-16(14)13-21-8-10-22(11-9-21)18(23)15-6-7-17(19)20-12-15/h2-7,12H,8-11,13H2,1H3/p+1