(2-methoxy-5-methyl-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-methyl-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-methyl-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-methylphenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-methyl-phenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)C)OC

InChI

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