2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Formula: C22H28N4O3+2 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCOCC4)N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCOCC4)N

InChI

InChI=1S/C22H26N4O3/c1-28-18-6-4-5-17(15-18)21(27)16-26-20-8-3-2-7-19(20)25(22(26)23)10-9-24-11-13-29-14-12-24/h2-8,15,23H,9-14,16H2,1H3/p+2