methyl 5-bromanyl-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25BrN3O3+ MolecularWeight: 423.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H24BrN3O3/c1-11-6-8-23(9-7-11)12(2)18(24)22-16-14-10-13(20)4-5-15(14)21-17(16)19(25)26-3/h4-5,10-12,21H,6-9H2,1-3H3,(H,22,24)/p+1/t12-/m1/s1