1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one

Systemtic Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one Openeye Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one CAS Name: 1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinone IUPAC Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one Traditional Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidinosulfonyl-2-pyridone Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4O3S/c25-20-9-8-19(28(26,27)24-10-4-5-11-24)16-23(20)17-21-12-14-22(15-13-21)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2/p+1