methyl 3-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

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

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC)C

InChI

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