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

Systemtic Name: 2-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]ethanol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-25-21-15-19(16-23-11-9-22(10-12-23)13-14-24)7-8-20(21)26-17-18-5-3-2-4-6-18/h2-8,15,24H,9-14,16-17H2,1H3/p+1