(4,4-diphenylcycloheptyl)-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (4,4-diphenylcycloheptyl)-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (4,4-diphenylcycloheptyl)-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (4,4-diphenylcycloheptyl)-methylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (4,4-diphenylcycloheptyl)-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (4,4-diphenylcycloheptyl)-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH2+]C1CCCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H25N.C4H4O4/c1-21-19-13-8-15-20(16-14-19,17-9-4-2-5-10-17)18-11-6-3-7-12-18;5-3(6)1-2-4(7)8/h2-7,9-12,19,21H,8,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-