(3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-indan-2-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-indan-2-yl-piperidin-1-ium-3-ol Formula: C20H32N2O+2 MolecularWeight: 316.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C20H30N2O/c23-20-15-22(18-13-16-7-3-4-8-17(16)14-18)12-9-19(20)21-10-5-1-2-6-11-21/h3-4,7-8,18-20,23H,1-2,5-6,9-15H2/p+2/t19-,20-/m1/s1