N-[2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide

Systemtic Name: N-[2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide Openeye Name: N-[2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide CAS Name: N-[2-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]butanamide IUPAC Name: N-[2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide Traditional Name: N-[2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butyramide Formula: C23H30N5O+ MolecularWeight: 392.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C23H29N5O/c1-3-8-23(29)25-19-10-5-7-12-21(19)28-15-13-27(14-16-28)17-22-24-18-9-4-6-11-20(18)26(22)2/h4-7,9-12H,3,8,13-17H2,1-2H3,(H,25,29)/p+1