N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H27ClN3O3S+ MolecularWeight: 448.98608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26ClN3O3S/c23-20-9-8-19(30(28,29)26-11-4-1-5-12-26)14-21(20)24-22(27)16-25-13-10-17-6-2-3-7-18(17)15-25/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,24,27)/p+1