2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-6-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C22H30N2O2/c1-23(15-13-18-8-4-3-5-9-18)20-11-7-14-24(17-20)16-19-10-6-12-21(26-2)22(19)25/h3-6,8-10,12,20,25H,7,11,13-17H2,1-2H3/p+1/t20-/m0/s1