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

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

CC1CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-12-6-5-9-22(10-12)11-15(23)21-17-16-13(2)7-4-8-14(16)20-18(17)19(24)25-3/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,21,23)/p+1/t12-/m0/s1