butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: butyl-(2-indan-5-yl-2-oxo-ethyl)-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: butyl-(2-indan-5-yl-2-keto-ethyl)-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(=O)C1=CC2=C(CCC2)C=C1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC[NH+](C)CC(=O)C1=CC2=C(CCC2)C=C1.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H23NO.C4H4O4/c1-3-4-10-17(2)12-16(18)15-9-8-13-6-5-7-14(13)11-15;5-3(6)1-2-4(7)8/h8-9,11H,3-7,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-