N-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-6-piperidin-1-yl-pyridin-1-ium-3-amine

Systemtic Name: N-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-6-piperidin-1-yl-pyridin-1-ium-3-amine Openeye Name: N-(2-morpholinosulfonyl-4-nitro-phenyl)-6-(1-piperidyl)pyridin-1-ium-3-amine CAS Name: N-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-6-(1-piperidinyl)-3-pyridin-1-iumamine IUPAC Name: N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-6-piperidin-1-ylpyridin-1-ium-3-amine Traditional Name: (2-morpholinosulfonyl-4-nitro-phenyl)-(6-piperidinopyridin-1-ium-3-yl)amine Formula: C20H26N5O5S+ MolecularWeight: 448.51594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O5S/c26-25(27)17-5-6-18(19(14-17)31(28,29)24-10-12-30-13-11-24)22-16-4-7-20(21-15-16)23-8-2-1-3-9-23/h4-7,14-15,22H,1-3,8-13H2/p+1