methyl 5-bromanyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H23BrN3O3+ MolecularWeight: 409.29752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3/c1-11-4-3-7-22(9-11)10-15(23)21-16-13-8-12(19)5-6-14(13)20-17(16)18(24)25-2/h5-6,8,11,20H,3-4,7,9-10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1