1-methyl-4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium Openeye Name: 1-methyl-4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium CAS Name: 1-methyl-4-[2-nitro-5-(1-pyrrolidinyl)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-ium Traditional Name: 1-methyl-4-(2-nitro-5-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=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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