1-methyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium Openeye Name: 1-methyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium CAS Name: 1-methyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-ium Traditional Name: 1-methyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazin-1-ium Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2/c1-16-8-10-17(11-9-16)13-4-5-14(19(20)21)15(12-13)18-6-2-3-7-18/h4-5,12H,2-3,6-11H2,1H3/p+1