[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-piperidino-methanone Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3

InChI

InChI=1S/C17H24N4O3/c1-18-9-11-19(12-10-18)16-6-5-14(21(23)24)13-15(16)17(22)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12H2,1H3/p+1