N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-5-sulfonamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-5-sulfonamide Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H28N3O4S/c1-19(28)20-8-10-22(11-9-20)31-17-5-16-27(14-2-3-15-27)26-32(29,30)24-7-4-6-21-18-25-13-12-23(21)24/h4,6-13,18,26H,2-3,5,14-17H2,1H3/q+1