ethyl 1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C22H30N2O3/c1-5-27-21(26)16-10-12-24(13-11-16)15-17(25)14-20-22(2,3)18-8-6-7-9-19(18)23(20)4/h6-9,14,16H,5,10-13,15H2,1-4H3/p+1/b20-14+