(3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H31N3O2/c1-14-4-3-5-17-15(2)18(22-21(14)17)12-23-9-8-19(20(26)13-23)24-10-6-16(25)7-11-24/h3-5,16,19-20,22,25-26H,6-13H2,1-2H3/p+2/t19-,20-/m1/s1