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

Systemtic Name: methyl 4-methyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methyl-3-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-12-7-6-9-14-16(12)17(18(20-14)19(24)25-3)21-15(23)11-22-10-5-4-8-13(22)2/h6-7,9,13,20H,4-5,8,10-11H2,1-3H3,(H,21,23)/p+1/t13-/m0/s1