[(3S)-1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(2-carbomethoxy-3-thienyl)sulfonyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H25N3O4S2/c1-21(12-8-15-6-3-4-10-20-15)16-7-5-11-22(14-16)28(24,25)17-9-13-27-18(17)19(23)26-2/h3-4,6,9-10,13,16H,5,7-8,11-12,14H2,1-2H3/p+1/t16-/m0/s1