2,3-dihydro-1H-inden-2-yl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl-indan-2-yl-ammonium Formula: C20H27N3O+2 MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]C3CC4=CC=CC=C4C3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]C3CC4=CC=CC=C4C3)O

InChI

InChI=1S/C20H25N3O/c24-19-8-4-10-23(14-19)20-17(7-3-9-21-20)13-22-18-11-15-5-1-2-6-16(15)12-18/h1-3,5-7,9,18-19,22,24H,4,8,10-14H2/p+2/t19-/m0/s1