1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-(3-chloro-4-methylphenyl)sulfonyl-4-piperidinyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]-4-methyl-piperazine-1,4-diium Formula: C17H28ClN3O2S+2 MolecularWeight: 373.94112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C17H26ClN3O2S/c1-14-3-4-16(13-17(14)18)24(22,23)21-7-5-15(6-8-21)20-11-9-19(2)10-12-20/h3-4,13,15H,5-12H2,1-2H3/p+2