N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methyl-amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide

Systemtic Name: N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methyl-amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide Openeye Name: N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methyl-amino]methyl]-5-methyl-oxazol-2-yl]phenyl]thiophene-3-carboxamide CAS Name: N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methylamino]methyl]-5-methyl-2-oxazolyl]phenyl]-3-thiophenecarboxamide IUPAC Name: N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide Traditional Name: N-[2-[4-[[(2-butyl-1H-imidazol-3-ium-5-yl)methyl-methyl-amino]methyl]-5-methyl-oxazol-2-yl]phenyl]thiophene-3-carboxamide Formula: C25H30N5O2S+ MolecularWeight: 464.603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN(C)CC2=C(OC(=N2)C3=CC=CC=C3NC(=O)C4=CSC=C4)C

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN(C)CC2=C(OC(=N2)C3=CC=CC=C3NC(=O)C4=CSC=C4)C

InChI

InChI=1S/C25H29N5O2S/c1-4-5-10-23-26-13-19(27-23)14-30(3)15-22-17(2)32-25(29-22)20-8-6-7-9-21(20)28-24(31)18-11-12-33-16-18/h6-9,11-13,16H,4-5,10,14-15H2,1-3H3,(H,26,27)(H,28,31)/p+1