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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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