1-(2,3-dimethylphenyl)-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-ethoxy-3-methoxy-benzyl)piperazin-4-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)OC

InChI

InChI=1S/C22H30N2O2/c1-5-26-21-10-9-19(15-22(21)25-4)16-23-11-13-24(14-12-23)20-8-6-7-17(2)18(20)3/h6-10,15H,5,11-14,16H2,1-4H3/p+1