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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O3/c1-24-18(23)17-16(13-7-3-4-8-14(13)19-17)20-15(22)9-12-21-10-5-2-6-11-21/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,20,22)/p+1