(1-methylindol-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (1-methylindol-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]-(1-methylindol-3-yl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-(1-methyl-3-indolyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-(1-methylindol-3-yl)methanone Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C20H27N3O3/c1-21-12-16(15-4-2-3-5-17(15)21)20(26)23-11-8-18(19(25)13-23)22-9-6-14(24)7-10-22/h2-5,12,14,18-19,24-25H,6-11,13H2,1H3/p+1/t18-,19-/m1/s1