(4-methylpiperazin-4-ium-1-yl)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(5-nitro-2-pyrrolidino-phenyl)methanone Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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