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2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide

2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide

Systemtic Name:2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide
Openeye Name:2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide
CAS Name:2-methyl-N-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide
IUPAC Name:2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide
Traditional Name:2-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-1H-pyrazol-2-ium-3-carboxamide
Formula: C18H23N7O4+2
MolecularWeight: 401.41972
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4


Isomeric SMILES

C[N+]1=C(C(=CN1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4


InChI

InChI=1S/C18H21N7O4/c1-22-16(15(12-19-22)25(27)28)17(26)21-18-20-13-4-2-3-5-14(13)24(18)7-6-23-8-10-29-11-9-23/h2-5,12H,6-11H2,1H3,(H,20,21,26)/p+2


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