4-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(4-ethylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(4-ethylbenzyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-4-17-5-7-18(8-6-17)15-23-9-11-24(12-10-23)16-19-13-20(26-2)22(25)21(14-19)27-3/h5-8,13-14,25H,4,9-12,15-16H2,1-3H3/p+1