N-(2-cyanoethyl)-2-phenoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanesulfonamide

Systemtic Name: N-(2-cyanoethyl)-2-phenoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanesulfonamide Openeye Name: N-(2-cyanoethyl)-2-phenoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanesulfonamide CAS Name: N-(2-cyanoethyl)-2-phenoxy-N-[2-(1-pyrrolidin-1-iumyl)ethyl]ethanesulfonamide IUPAC Name: N-(2-cyanoethyl)-2-phenoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanesulfonamide Traditional Name: N-(2-cyanoethyl)-2-phenoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanesulfonamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)CCOC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3S/c18-9-6-12-20(14-13-19-10-4-5-11-19)24(21,22)16-15-23-17-7-2-1-3-8-17/h1-3,7-8H,4-6,10-16H2/p+1