1-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C20H23ClN3O+ MolecularWeight: 356.86912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O/c1-20(2,3)18(25)13-24-17-7-5-4-6-16(17)23(19(24)22)12-14-8-10-15(21)11-9-14/h4-11,22H,12-13H2,1-3H3/p+1