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

Systemtic Name: ethyl 3-[[(2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-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)C(C)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-4-30-21(28)18-17(15-11-14(29-3)5-6-16(15)23-18)24-20(27)12(2)25-9-7-13(8-10-25)19(22)26/h5-6,11-13,23H,4,7-10H2,1-3H3,(H2,22,26)(H,24,27)/p+1/t12-/m0/s1