(2R)-2-(benzimidazol-1-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: (2R)-2-(benzimidazol-1-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: (2R)-2-(benzimidazol-1-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide CAS Name: (2R)-2-(1-benzimidazolyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (2R)-2-(benzimidazol-1-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: (2R)-2-(benzimidazol-1-yl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]propionamide Formula: C20H24N5O+ MolecularWeight: 350.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C[NH+]=C(C=C1)N2CCCC2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCCC2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O/c1-15(25-14-23-17-6-2-3-7-18(17)25)20(26)22-13-16-8-9-19(21-12-16)24-10-4-5-11-24/h2-3,6-9,12,14-15H,4-5,10-11,13H2,1H3,(H,22,26)/p+1/t15-/m1/s1