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

Systemtic Name: methyl 4-methoxy-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O4/c1-24-13-8-6-7-12-15(13)16(17(19-12)18(23)25-2)20-14(22)11-21-9-4-3-5-10-21/h6-8,19H,3-5,9-11H2,1-2H3,(H,20,22)/p+1