1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2,5-dimethylbenzyl)-4-(4-methoxyphenyl)piperazin-1-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-16-4-5-17(2)18(14-16)15-21-10-12-22(13-11-21)19-6-8-20(23-3)9-7-19/h4-9,14H,10-13,15H2,1-3H3/p+1