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

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

Systemtic Name:1-(2,5-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
Openeye Name:1-[(3-benzyloxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium
CAS Name:1-(2,5-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
IUPAC Name:1-(2,5-dimethylphenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
Traditional Name:1-(3-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(=CC=C3)OCC4=CC=CC=C4


Isomeric SMILES

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


InChI

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


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