ethyl 1-[(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(2,6-dimethyl-1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(2,6-dimethyl-1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)C2=C(NC3=C2C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)C2=C(NC3=C2C=CC(=C3)C)C

InChI

InChI=1S/C21H28N2O3/c1-5-26-21(25)16-8-10-23(11-9-16)15(4)20(24)19-14(3)22-18-12-13(2)6-7-17(18)19/h6-7,12,15-16,22H,5,8-11H2,1-4H3/p+1/t15-/m1/s1