(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-propyl-5-(2-thiophen-1-ium-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-propyl-5-(2-thiophen-1-ium-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 1-propyl-5-(2-thiophen-1-ium-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 1-propyl-5-[2-(1-thiophen-1-iumyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 1-propyl-5-(2-thiophen-1-ium-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 1-propyl-5-(2-thiophen-1-ium-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC1=O)C(CCC2)NCC[S+]3C=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCN1C2=C(C=CC1=O)C(CCC2)NCC[S+]3C=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H25N2OS.C4H4O4/c1-2-11-20-17-7-5-6-16(15(17)8-9-18(20)21)19-10-14-22-12-3-4-13-22;5-3(6)1-2-4(7)8/h3-4,8-9,12-13,16,19H,2,5-7,10-11,14H2,1H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1+