methyl 4-chloranyl-3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]acetyl]amino]-4-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C20H25ClN3O5+ MolecularWeight: 422.8826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5/c1-3-29-19(26)12-6-5-9-24(10-12)11-15(25)23-17-16-13(21)7-4-8-14(16)22-18(17)20(27)28-2/h4,7-8,12,22H,3,5-6,9-11H2,1-2H3,(H,23,25)/p+1/t12-/m0/s1