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

Systemtic Name: methyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-1,4-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OC)C

InChI

InChI=1S/C20H26N4O4/c1-12-5-4-6-14-16(12)17(18(23(14)2)20(27)28-3)22-15(25)11-24-9-7-13(8-10-24)19(21)26/h4-6,13H,7-11H2,1-3H3,(H2,21,26)(H,22,25)/p+1