1-(3-chloranyl-4-methyl-phenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(3-chloro-4-methylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-methylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Formula: C18H28ClN2O2S+ MolecularWeight: 371.94512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C18H27ClN2O2S/c1-14-7-8-16(13-17(14)19)24(22,23)21-11-9-20(10-12-21)18-6-4-3-5-15(18)2/h7-8,13,15,18H,3-6,9-12H2,1-2H3/p+1/t15-,18-/m0/s1