1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-thiophen-2-ylsulfonyl-piperazine

Systemtic Name: 1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-thiophen-2-ylsulfonyl-piperazine Openeye Name: 1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-(2-thienylsulfonyl)piperazine CAS Name: 1-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-4-thiophen-2-ylsulfonylpiperazine IUPAC Name: 1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-thiophen-2-ylsulfonylpiperazine Traditional Name: 1-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-4-(2-thienylsulfonyl)piperazine Formula: C17H23N4O4S3+ MolecularWeight: 443.58392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H22N4O4S3/c22-27(23,20-7-1-2-8-20)15-5-6-16(18-14-15)19-9-11-21(12-10-19)28(24,25)17-4-3-13-26-17/h3-6,13-14H,1-2,7-12H2/p+1