N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O3S/c1-20-10-11-23(18-24(20)32(30,31)28-14-6-3-7-15-28)26-25(29)19-27-16-12-22(13-17-27)21-8-4-2-5-9-21/h2,4-5,8-12,18H,3,6-7,13-17,19H2,1H3,(H,26,29)/p+1