N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-8-sulfonamide

Systemtic Name: N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]isoquinoline-8-sulfonamide Openeye Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-8-sulfonamide CAS Name: N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-8-isoquinolinesulfonamide IUPAC Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-8-sulfonamide Traditional Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-8-sulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C4=CC=CC5=C4C=NC=C5

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C4=CC=CC5=C4C=NC=C5

InChI

InChI=1S/C26H30N3O4S/c30-26(21-7-8-21)22-9-11-23(12-10-22)33-18-4-17-29(15-1-2-16-29)28-34(31,32)25-6-3-5-20-13-14-27-19-24(20)25/h3,5-6,9-14,19,21,28H,1-2,4,7-8,15-18H2/q+1