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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-m-anisyl-piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol Formula: C22H31N2O4+ MolecularWeight: 387.49254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC(=CC=C3)OC)O

InChI

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