methyl 3-[3-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]propanoylamino]-6-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)C1CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC

InChI

InChI=1S/C22H29N3O6/c1-4-31-21(27)14-6-5-10-25(13-14)11-9-18(26)24-19-16-8-7-15(29-2)12-17(16)23-20(19)22(28)30-3/h7-8,12,14,23H,4-6,9-11,13H2,1-3H3,(H,24,26)/p+1/t14-/m0/s1