1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3)C

InChI

InChI=1S/C18H28N2O3S/c1-15-6-7-18(13-16(15)2)24(21,22)20-10-8-19(9-11-20)14-17-5-3-4-12-23-17/h6-7,13,17H,3-5,8-12,14H2,1-2H3/p+1/t17-/m1/s1