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

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C21H25N5O4+2 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c22-21-24(9-8-23-10-12-30-13-11-23)18-6-1-2-7-19(18)25(21)15-20(27)16-4-3-5-17(14-16)26(28)29/h1-7,14,22H,8-13,15H2/p+2