1-(2,5-dimethylphenyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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