1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[6-[(3S)-3-methyl-1-piperidyl]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[[6-[(3S)-3-methyl-1-piperidinyl]-3-pyridin-1-iumyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[6-[(3S)-3-methylpiperidino]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium Formula: C16H28N4O2S+2 MolecularWeight: 340.48412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N4O2S/c1-14-4-3-7-19(13-14)16-6-5-15(12-17-16)23(21,22)20-10-8-18(2)9-11-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/p+2/t14-/m0/s1