ethyl 5-methoxy-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-4-27-20(25)18-17(15-12-14(26-3)8-9-16(15)21-18)22-19(24)13(2)23-10-6-5-7-11-23/h8-9,12-13,21H,4-7,10-11H2,1-3H3,(H,22,24)/p+1/t13-/m0/s1