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

Systemtic Name: methyl 3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-4-30-20(26)13-7-6-10-24(11-13)12-16(25)23-18-17-14(8-5-9-15(17)28-2)22-19(18)21(27)29-3/h5,8-9,13,22H,4,6-7,10-12H2,1-3H3,(H,23,25)/p+1/t13-/m0/s1