[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-pyrrolidino-methanone Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c1-17-8-10-18(11-9-17)14-5-4-13(12-15(14)20(22)23)16(21)19-6-2-3-7-19/h4-5,12H,2-3,6-11H2,1H3/p+1