1-[(2R)-2-(1,2-dimethylindol-3-yl)-2-oxidanyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-2-(1,2-dimethylindol-3-yl)-2-oxidanyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2R)-2-(1,2-dimethylindol-3-yl)-2-hydroxy-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-2-(1,2-dimethyl-3-indolyl)-2-hydroxyethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2R)-2-(1,2-dimethylindol-3-yl)-2-hydroxy-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(C[NH+]3CCC(CC3)C(=O)N)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)[C@H](C[NH+]3CCC(CC3)C(=O)N)O

InChI

InChI=1S/C18H25N3O2/c1-12-17(14-5-3-4-6-15(14)20(12)2)16(22)11-21-9-7-13(8-10-21)18(19)23/h3-6,13,16,22H,7-11H2,1-2H3,(H2,19,23)/p+1/t16-/m0/s1