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

Systemtic Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H32N2O3/c1-3-28-23-15-20(9-10-22(23)27-2)16-24-12-13-25(21(18-24)11-14-26)17-19-7-5-4-6-8-19/h4-10,15,21,26H,3,11-14,16-18H2,1-2H3/p+1/t21-/m0/s1