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

Systemtic Name: methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OC

InChI

InChI=1S/C19H24N4O4/c1-11-3-4-14-13(9-11)16(17(21-14)19(26)27-2)22-15(24)10-23-7-5-12(6-8-23)18(20)25/h3-4,9,12,21H,5-8,10H2,1-2H3,(H2,20,25)(H,22,24)/p+1