methyl 3-[[(2R)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O3/c1-12(21-10-6-3-7-11-21)17(22)20-15-13-8-4-5-9-14(13)19-16(15)18(23)24-2/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1