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

Systemtic Name: methyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-3-13-8-6-7-11-22(13)12-16(23)21-17-14-9-4-5-10-15(14)20-18(17)19(24)25-2/h4-5,9-10,13,20H,3,6-8,11-12H2,1-2H3,(H,21,23)/p+1/t13-/m0/s1