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

Systemtic Name: ethyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-3-29-20(27)18-17(14-10-13(28-2)4-5-15(14)22-18)23-16(25)11-24-8-6-12(7-9-24)19(21)26/h4-5,10,12,22H,3,6-9,11H2,1-2H3,(H2,21,26)(H,23,25)/p+1