N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]pentanamide

Systemtic Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]pentanamide Openeye Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]pentanamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolyl]pentanamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]pentanamide Traditional Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]valeramide Formula: C20H31N4O+ MolecularWeight: 343.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C20H30N4O/c1-4-5-6-20(25)21-16-7-8-18-17(13-16)22-19(23(18)3)14-24-11-9-15(2)10-12-24/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,21,25)/p+1