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

Systemtic Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxy-4-methoxy-benzyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H34N2O3/c1-3-29-24-17-21(9-10-23(24)28-2)18-25-14-15-26(22(19-25)12-16-27)13-11-20-7-5-4-6-8-20/h4-10,17,22,27H,3,11-16,18-19H2,1-2H3/p+1/t22-/m0/s1