diethyl-[2-[2-[(2-methyl-3-nitro-phenyl)carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(2-methyl-3-nitro-phenyl)carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(2-methyl-3-nitro-benzoyl)amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(2-methyl-3-nitrobenzoyl)amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[(2-methyl-3-nitro-benzoyl)amino]benzimidazol-1-yl]ethyl]ammonium Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O3/c1-4-24(5-2)13-14-25-19-11-7-6-10-17(19)22-21(25)23-20(27)16-9-8-12-18(15(16)3)26(28)29/h6-12H,4-5,13-14H2,1-3H3,(H,22,23,27)/p+1