methyl 4-chloranyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H20ClN3O3/c1-24-17(23)16-15(14-11(18)6-5-7-12(14)19-16)20-13(22)10-21-8-3-2-4-9-21/h5-7,19H,2-4,8-10H2,1H3,(H,20,22)/p+1