N-[bis(azanyl)methylidene]-4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-[1-(dimethylamino)-1-piperidin-1-iumyl]-3-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-mesyl-benzamide Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(CCCCC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CN(C)[N+]1(CCCCC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C16H25N5O3S/c1-20(2)21(9-5-4-6-10-21)13-8-7-12(15(22)19-16(17)18)11-14(13)25(3,23)24/h7-8,11H,4-6,9-10H2,1-3H3,(H3-,17,18,19,22)/p+1