ethyl (3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(4-aminophenyl)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H24N2O3/c1-2-22-17(21)14-4-3-10-19(12-14)11-9-16(20)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12,18H2,1H3/p+1/t14-/m0/s1