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

Systemtic Name: methyl 3-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-4-29-20(26)14-8-10-24(11-9-14)12-16(25)23-18-17-13(2)6-5-7-15(17)22-19(18)21(27)28-3/h5-7,14,22H,4,8-12H2,1-3H3,(H,23,25)/p+1