(2S)-2-(1H-imidazol-3-ium-3-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: (2S)-2-(1H-imidazol-3-ium-3-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: (2S)-2-(1H-imidazol-3-ium-3-yl)-4-oxo-4-tetralin-6-yl-butanoate CAS Name: (2S)-2-(1H-imidazol-3-ium-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate IUPAC Name: (2S)-2-(1H-imidazol-3-ium-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: (2S)-2-(1H-imidazol-3-ium-3-yl)-4-keto-4-tetralin-6-yl-butyrate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CC(C(=O)[O-])[N+]3=CNC=C3

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)C[C@@H](C(=O)[O-])[N+]3=CNC=C3

InChI

InChI=1S/C17H18N2O3/c20-16(10-15(17(21)22)19-8-7-18-11-19)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,15H,1-4,10H2,(H,21,22)/t15-/m0/s1