N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-(4-isopropyl-N-methylsulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide Traditional Name: 2-(4-isopropyl-N-mesyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O3S/c1-14(2)15-5-7-17(8-6-15)22(26(4,24)25)13-18(23)20-19-16-9-11-21(3)12-10-16/h5-8,14H,9-13H2,1-4H3,(H,20,23)/p+1