methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-bromanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H22BrN4O4+ MolecularWeight: 438.29568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H21BrN4O4/c1-27-18(26)16-15(12-8-11(19)2-3-13(12)21-16)22-14(24)9-23-6-4-10(5-7-23)17(20)25/h2-3,8,10,21H,4-7,9H2,1H3,(H2,20,25)(H,22,24)/p+1