1-(4-methoxyphenyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-methylsulfonyl-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-methylsulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-[(3S)-1-mesyl-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-23-17-7-5-15(6-8-17)18-10-12-19(13-11-18)16-4-3-9-20(14-16)24(2,21)22/h5-8,16H,3-4,9-14H2,1-2H3/p+1/t16-/m0/s1