(5-chloranyl-2-methoxy-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2/c1-15-5-3-4-6-16(15)14-22-9-11-23(12-10-22)20(24)18-13-17(21)7-8-19(18)25-2/h3-8,13H,9-12,14H2,1-2H3/p+1