2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]piperazin-4-ium-1-yl]ethanol Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)CCO)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)CCO)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-26-21-14-18(15-24-10-8-23(9-11-24)12-13-25)4-7-20(21)27-16-17-2-5-19(22)6-3-17/h2-7,14,25H,8-13,15-16H2,1H3/p+1