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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-hexoxybenzyl)piperazin-4-ium Formula: C25H37N2O+ MolecularWeight: 381.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C25H36N2O/c1-4-5-6-7-19-28-24-13-11-23(12-14-24)20-26-15-17-27(18-16-26)25-10-8-9-21(2)22(25)3/h8-14H,4-7,15-20H2,1-3H3/p+1