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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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