2-methoxy-4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-4-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-[[(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=CC(=C(C=C3)O)OC

Isomeric SMILES

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

InChI

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