1-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one

Systemtic Name: 1-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one Openeye Name: 1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one CAS Name: 1-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-2-propanone IUPAC Name: 1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one Traditional Name: 1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]acetone Formula: C16H24N4O2+2 MolecularWeight: 304.38736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCOCC3)N

Isomeric SMILES

CC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCOCC3)N

InChI

InChI=1S/C16H22N4O2/c1-13(21)12-20-15-5-3-2-4-14(15)19(16(20)17)7-6-18-8-10-22-11-9-18/h2-5,17H,6-12H2,1H3/p+2