(3S)-1-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C18H23N3O2/c1-11-16(14-7-3-4-8-15(14)20-11)17(22)12(2)21-9-5-6-13(10-21)18(19)23/h3-4,7-8,12-13,20H,5-6,9-10H2,1-2H3,(H2,19,23)/p+1/t12-,13+/m1/s1