4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3/c1-23-18-8-7-16(26(28)29)13-17(18)22-19(23)14-24-9-11-25(12-10-24)20(27)21-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,27)/p+1