(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-pyrrolidinosulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O3S/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/h2-3,6-11,17H,4-5,12-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1