(2R)-2-(aziridin-1-ium-1-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: (2R)-2-(aziridin-1-ium-1-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: (2R)-2-(aziridin-1-ium-1-yl)-4-oxo-4-tetralin-6-yl-butanoate CAS Name: (2R)-2-(1-aziridin-1-iumyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate IUPAC Name: (2R)-2-(aziridin-1-ium-1-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: (2R)-2-ethylenimin-1-ium-1-yl-4-keto-4-tetralin-6-yl-butyrate Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CC(C(=O)[O-])[NH+]3CC3

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)C[C@H](C(=O)[O-])[NH+]3CC3

InChI

InChI=1S/C16H19NO3/c18-15(10-14(16(19)20)17-7-8-17)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,14H,1-4,7-8,10H2,(H,19,20)/t14-/m1/s1