(3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: (3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (3,5-dimethyl-1H-indol-2-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]methanone Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C)C(=O)N3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C)C(=O)N3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H29N3O3/c1-13-3-4-17-16(11-13)14(2)20(22-17)21(27)24-10-7-18(19(26)12-24)23-8-5-15(25)6-9-23/h3-4,11,15,18-19,22,25-26H,5-10,12H2,1-2H3/p+1/t18-,19-/m1/s1