N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]butanamide

Systemtic Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]butanamide Openeye Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]butanamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-5-benzimidazolyl]butanamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]butanamide Traditional Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]butyramide Formula: C18H28N5O+ MolecularWeight: 330.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CC[NH+](CC3)C)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H27N5O/c1-4-5-18(24)19-14-6-7-16-15(12-14)20-17(22(16)3)13-23-10-8-21(2)9-11-23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,24)/p+1