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

Systemtic Name: methyl 6-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O4/c1-25-13-6-7-14-15(12-13)20-18(19(24)26-2)17(14)21-16(23)8-11-22-9-4-3-5-10-22/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,21,23)/p+1