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

Systemtic Name: N2,N2-dimethyl-N5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyridin-1-ium-2,5-diamine Openeye Name: N2,N2-dimethyl-N5-(4-morpholinosulfonyl-2-nitro-phenyl)pyridin-1-ium-2,5-diamine CAS Name: N2,N2-dimethyl-N5-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]pyridin-1-ium-2,5-diamine IUPAC Name: 2-N,2-N-dimethyl-5-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyridin-1-ium-2,5-diamine Traditional Name: dimethyl-[5-(4-morpholinosulfonyl-2-nitro-anilino)pyridin-1-ium-2-yl]amine Formula: C17H22N5O5S+ MolecularWeight: 408.45208

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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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=[NH+]C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c1-20(2)17-6-3-13(12-18-17)19-15-5-4-14(11-16(15)22(23)24)28(25,26)21-7-9-27-10-8-21/h3-6,11-12,19H,7-10H2,1-2H3/p+1