methyl 5-bromanyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H23BrN3O4+ MolecularWeight: 425.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C18H22BrN3O4/c1-10-7-22(8-11(2)26-10)9-15(23)21-16-13-6-12(19)4-5-14(13)20-17(16)18(24)25-3/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23)/p+1/t10-,11-/m0/s1