5-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C23H33N2O4+ MolecularWeight: 401.51912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC(=C(C=C3)OC)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=C(C=C3)OC)O)OC

InChI

InChI=1S/C23H32N2O4/c1-17-12-18(4-6-22(17)28-2)15-25-10-9-24(16-20(25)8-11-26)14-19-5-7-23(29-3)21(27)13-19/h4-7,12-13,20,26-27H,8-11,14-16H2,1-3H3/p+1/t20-/m0/s1