ethyl 5-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O3/c1-3-25-19(24)18-17(14-11-13(2)7-8-15(14)20-18)21-16(23)12-22-9-5-4-6-10-22/h7-8,11,20H,3-6,9-10,12H2,1-2H3,(H,21,23)/p+1