ethyl 3-[2-[(2S,5S)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[(2S,5S)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[(2S,5S)-2,5-dimethyl-4-oxo-piperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2S,5S)-2,5-dimethyl-4-oxo-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2S,5S)-2,5-dimethyl-4-oxopiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2S,5S)-4-keto-2,5-dimethyl-piperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CC(C(=O)CC3C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-5-29-21(27)20-19(15-9-14(28-4)6-7-16(15)22-20)23-18(26)11-24-10-12(2)17(25)8-13(24)3/h6-7,9,12-13,22H,5,8,10-11H2,1-4H3,(H,23,26)/p+1/t12-,13-/m0/s1