N-[2-methyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]-2-furamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c1-18-6-11-21(15-22(18)27-25(30)23-5-4-14-31-23)24(29)26-16-19-7-9-20(10-8-19)17-28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,16-17H2,1H3,(H,26,29)(H,27,30)/p+1