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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzoxybenzyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C26H31N2O+ MolecularWeight: 387.53714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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