methyl 4-methoxy-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCCC3

InChI

InChI=1S/C18H23N3O4/c1-24-13-7-5-6-12-15(13)16(17(19-12)18(23)25-2)20-14(22)8-11-21-9-3-4-10-21/h5-7,19H,3-4,8-11H2,1-2H3,(H,20,22)/p+1