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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(4-ethoxybenzyl)piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H28N2O/c1-4-24-20-9-7-19(8-10-20)16-22-11-13-23(14-12-22)21-15-17(2)5-6-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3/p+1