2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H25N3O2S/c30-25(27-21-13-11-19(12-14-21)17-29-15-5-6-16-29)22-8-2-1-7-20(22)18-32-26-28-23-9-3-4-10-24(23)31-26/h1-4,7-14H,5-6,15-18H2,(H,27,30)/p+1