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

Systemtic Name: ethyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-ethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N)C(=O)OCC

InChI

InChI=1S/C21H28N4O5/c1-3-29-14-5-6-16-15(11-14)18(19(23-16)21(28)30-4-2)24-17(26)12-25-9-7-13(8-10-25)20(22)27/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3,(H2,22,27)(H,24,26)/p+1