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

Systemtic Name: (2-methoxy-5-methyl-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-methyl-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-methylphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-methylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-methyl-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O2/c1-16-8-9-20(25-3)19(14-16)21(24)23-12-10-22(11-13-23)15-18-7-5-4-6-17(18)2/h4-9,14H,10-13,15H2,1-3H3/p+1