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

Systemtic Name: methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H22N4O4/c1-26-18(25)16-15(12-4-2-3-5-13(12)20-16)21-14(23)10-22-8-6-11(7-9-22)17(19)24/h2-5,11,20H,6-10H2,1H3,(H2,19,24)(H,21,23)/p+1