1-(2,5-dimethylphenyl)-4-[(3S)-thiolan-3-yl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3S)-thiolan-3-yl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3S)-3-thiolanyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3S)-thiolan-3-yl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C16H24N2S/c1-13-3-4-14(2)16(11-13)18-8-6-17(7-9-18)15-5-10-19-12-15/h3-4,11,15H,5-10,12H2,1-2H3/p+1/t15-/m0/s1