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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxybenzyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C26H31N2O+ MolecularWeight: 387.53714

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O/c1-21-8-9-22(2)26(18-21)28-16-14-27(15-17-28)19-23-10-12-25(13-11-23)29-20-24-6-4-3-5-7-24/h3-13,18H,14-17,19-20H2,1-2H3/p+1