methyl 3-[[(2S)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(2S)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-carbethoxypiperidin-1-ium-1-yl)propanoyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C22H30N3O6+ MolecularWeight: 432.4901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H](C)C(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C22H29N3O6/c1-5-31-21(27)14-9-11-25(12-10-14)13(2)20(26)24-18-17-15(7-6-8-16(17)29-3)23-19(18)22(28)30-4/h6-8,13-14,23H,5,9-12H2,1-4H3,(H,24,26)/p+1/t13-/m0/s1