N2,N2-dimethyl-N5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyridin-1-ium-2,5-diamine

Systemtic Name: N2,N2-dimethyl-N5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyridin-1-ium-2,5-diamine Openeye Name: N2,N2-dimethyl-N5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyridin-1-ium-2,5-diamine CAS Name: N2,N2-dimethyl-N5-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]pyridin-1-ium-2,5-diamine IUPAC Name: 2-N,2-N-dimethyl-5-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2,5-diamine Traditional Name: dimethyl-[5-(2-nitro-4-pyrrolidinosulfonyl-anilino)pyridin-1-ium-2-yl]amine Formula: C17H22N5O4S+ MolecularWeight: 392.45268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=[NH+]C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-20(2)17-8-5-13(12-18-17)19-15-7-6-14(11-16(15)22(23)24)27(25,26)21-9-3-4-10-21/h5-8,11-12,19H,3-4,9-10H2,1-2H3/p+1