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

Systemtic Name: ethyl 4-[2-[(2S,5R)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-[(2S,5R)-2,5-dimethyl-4-oxo-piperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-[(2S,5R)-2,5-dimethyl-4-oxo-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2S,5R)-2,5-dimethyl-4-oxopiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-[(2S,5R)-4-keto-2,5-dimethyl-piperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CC(C(=O)CC3C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3C[C@H](C(=O)C[C@@H]3C)C)C)C

InChI

InChI=1S/C23H31N3O5/c1-7-31-23(29)20-15(4)25(5)16-8-9-18(30-6)22(21(16)20)24-19(28)12-26-11-13(2)17(27)10-14(26)3/h8-9,13-14H,7,10-12H2,1-6H3,(H,24,28)/p+1/t13-,14+/m1/s1