(2R)-2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S/c1-17(24-15-12-18-6-2-3-7-19(18)16-24)22(26)23-20-8-10-21(11-9-20)29(27,28)25-13-4-5-14-25/h2-3,6-12,15-17H,4-5,13-14H2,1H3/p+1/t17-/m1/s1