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

Systemtic Name: methyl 5-bromanyl-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25BrN3O3+ MolecularWeight: 423.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C19H24BrN3O3/c1-11-6-12(2)9-23(8-11)10-16(24)22-17-14-7-13(20)4-5-15(14)21-18(17)19(25)26-3/h4-5,7,11-12,21H,6,8-10H2,1-3H3,(H,22,24)/p+1/t11-,12-/m0/s1