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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-3-30-21(28)19-18(15-12-14(29-2)4-5-16(15)23-19)24-17(26)8-11-25-9-6-13(7-10-25)20(22)27/h4-5,12-13,23H,3,6-11H2,1-2H3,(H2,22,27)(H,24,26)/p+1