[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H23N4OS+ MolecularWeight: 355.47712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4OS/c1-14-10-16-17(11-15(14)2)23(12-20-16)13-21-5-7-22(8-6-21)19(24)18-4-3-9-25-18/h3-4,9-12H,5-8,13H2,1-2H3/p+1