2-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-6-methoxy-phenol

Systemtic Name: 2-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-6-methoxy-phenol Openeye Name: 2-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]-6-methoxy-phenol CAS Name: 2-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]amino]methyl]-6-methoxyphenol IUPAC Name: 2-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-6-methoxyphenol Traditional Name: 2-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]-6-methoxy-phenol Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CNC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1O)CN[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O2/c1-26-21-10-4-8-18(22(21)25)14-23-19-9-5-11-24(15-19)20-12-16-6-2-3-7-17(16)13-20/h2-4,6-8,10,19-20,23,25H,5,9,11-15H2,1H3/p+1/t19-/m0/s1