ethyl (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCC[C@@H](C3)C(=O)OCC

InChI

InChI=1S/C20H26N2O3/c1-3-14-7-5-9-16-17(11-21-19(14)16)18(23)13-22-10-6-8-15(12-22)20(24)25-4-2/h5,7,9,11,15,21H,3-4,6,8,10,12-13H2,1-2H3/p+1/t15-/m0/s1