2-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-[(4-ethylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-[(4-ethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[4-(4-ethylbenzyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-3-17-4-6-18(7-5-17)15-22-10-12-23(13-11-22)16-19-14-20(25-2)8-9-21(19)24/h4-9,14,24H,3,10-13,15-16H2,1-2H3/p+1