2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-1-yl]methyl]-6-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=C(C(=CC=C3)OC)O)OC

Isomeric SMILES

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

InChI

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