2,2-dimethyl-8-(4-oxidanylidene-4-thiophen-2-yl-butyl)-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2,2-dimethyl-8-(4-oxidanylidene-4-thiophen-2-yl-butyl)-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2,2-dimethyl-8-[4-oxo-4-(2-thienyl)butyl]-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2,2-dimethyl-8-(4-oxo-4-thiophen-2-ylbutyl)-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2,2-dimethyl-8-(4-oxo-4-thiophen-2-ylbutyl)-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 8-[4-keto-4-(2-thienyl)butyl]-2,2-dimethyl-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one Formula: C27H33N3O6S MolecularWeight: 527.63242

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[N+]1(CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4)C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H30N3O2S.C4H4O4/c1-26(2)18-25(19-8-4-3-5-9-19)23(22(26)28)12-15-24(16-13-23)14-6-10-20(27)21-11-7-17-29-21;5-3(6)1-2-4(7)8/h3-5,7-9,11,17H,6,10,12-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1+