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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-ethylbenzyl)-4-veratryl-piperazin-4-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H30N2O2/c1-4-18-5-7-19(8-6-18)16-23-11-13-24(14-12-23)17-20-9-10-21(25-2)22(15-20)26-3/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1