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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-ethylbenzyl)piperazin-4-ium Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H28N2/c1-4-19-8-10-20(11-9-19)16-22-12-14-23(15-13-22)21-7-5-6-17(2)18(21)3/h5-11H,4,12-16H2,1-3H3/p+1