1-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-16-6-7-17(2)19(14-16)24-12-10-23(11-13-24)15-18-8-9-20(25-3)22(27-5)21(18)26-4/h6-9,14H,10-13,15H2,1-5H3/p+1