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

Systemtic Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-[(2-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[4-(2-ethoxybenzyl)piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C21H28N2O3/c1-3-26-21-7-5-4-6-17(21)15-22-10-12-23(13-11-22)16-18-14-19(25-2)8-9-20(18)24/h4-9,14,24H,3,10-13,15-16H2,1-2H3/p+1