(2,6-dimethoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethoxyphenyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethoxyphenyl)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H26N2O3/c1-16-7-9-17(10-8-16)15-22-11-13-23(14-12-22)21(24)20-18(25-2)5-4-6-19(20)26-3/h4-10H,11-15H2,1-3H3/p+1