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

Systemtic Name: methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-oxidanyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-hydroxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-hydroxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-hydroxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-hydroxy-1H-indole-2-carboxylic acid methyl ester Formula: C18H23N4O5+ MolecularWeight: 375.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2O)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2O)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H22N4O5/c1-27-18(26)16-15(14-11(20-16)3-2-4-12(14)23)21-13(24)9-22-7-5-10(6-8-22)17(19)25/h2-4,10,20,23H,5-9H2,1H3,(H2,19,25)(H,21,24)/p+1