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

Systemtic Name: 2-ethoxy-6-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol Openeye Name: 2-ethoxy-6-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol CAS Name: 2-ethoxy-6-[[[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]amino]methyl]phenol IUPAC Name: 2-ethoxy-6-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]phenol Traditional Name: 2-ethoxy-6-[[[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amino]methyl]phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CNC2CCC[NH+](C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H30N2O3/c1-3-27-21-11-5-8-18(22(21)25)14-23-19-9-6-12-24(16-19)15-17-7-4-10-20(13-17)26-2/h4-5,7-8,10-11,13,19,23,25H,3,6,9,12,14-16H2,1-2H3/p+1/t19-/m0/s1