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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(2-ethoxybenzyl)piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

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