(1-oxidanidylpyridin-1-ium-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])C

InChI

InChI=1S/C19H23N3O4S/c1-14-11-15(2)18(16(3)12-14)27(25,26)22-9-7-20(8-10-22)19(23)17-5-4-6-21(24)13-17/h4-6,11-13H,7-10H2,1-3H3