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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-m-anisyl-piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C22H30N2O4/c1-27-20-7-3-5-17(13-20)14-24-11-10-23(16-19(24)9-12-25)15-18-6-4-8-21(28-2)22(18)26/h3-8,13,19,25-26H,9-12,14-16H2,1-2H3/p+1/t19-/m0/s1