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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H32N2O2/c1-21-9-10-22(2)25(17-21)29-15-13-28(14-16-29)19-24-11-12-26(27(18-24)30-3)31-20-23-7-5-4-6-8-23/h4-12,17-18H,13-16,19-20H2,1-3H3/p+1