methyl 6-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 6-methyl-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O3/c1-12-6-7-13-14(10-12)19-17(18(23)24-2)16(13)20-15(22)11-21-8-4-3-5-9-21/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,22)/p+1