3,6,6-trimethyl-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide

Systemtic Name: 3,6,6-trimethyl-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide Openeye Name: 3,6,6-trimethyl-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide CAS Name: 3,6,6-trimethyl-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide IUPAC Name: 3,6,6-trimethyl-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide Traditional Name: 4-keto-3,6,6-trimethyl-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-5,7-dihydro-1H-indole-2-carboxamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NCC(C(C)C)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O3/c1-13(2)16(24-6-8-27-9-7-24)12-22-20(26)19-14(3)18-15(23-19)10-21(4,5)11-17(18)25/h13,16,23H,6-12H2,1-5H3,(H,22,26)/p+1/t16-/m1/s1