(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethanamine

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethanamine Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; 2-piperidin-1-ium-1-yl-2-(2-thienyl)ethanamine CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; 2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethanamine IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 2-piperidin-1-ium-1-yl-2-thiophen-2-ylethanamine Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amine Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CN)C2=CC=CS2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](CC1)C(CN)C2=CC=CS2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H18N2S.C4H4O4/c12-9-10(11-5-4-8-14-11)13-6-2-1-3-7-13;5-3(6)1-2-4(7)8/h4-5,8,10H,1-3,6-7,9,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-