1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-(4-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-pyridin-1-ium-4-ylpiperazine Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine Formula: C19H24N5O4S+ MolecularWeight: 418.48996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=[NH+]C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=[NH+]C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S/c25-24(26)19-15-17(29(27,28)23-9-1-2-10-23)3-4-18(19)22-13-11-21(12-14-22)16-5-7-20-8-6-16/h3-8,15H,1-2,9-14H2/p+1