N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O4/c1-15-23(19-5-3-4-6-20(19)26-15)24(29)16(2)28-11-9-17(10-12-28)25(30)27-18-7-8-21-22(13-18)32-14-31-21/h3-8,13,16-17,26H,9-12,14H2,1-2H3,(H,27,30)/p+1/t16-/m0/s1