N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c1-17-6-7-20(14-21(17)30(27,28)25-10-12-29-13-11-25)23-22(26)16-24-9-8-18-4-2-3-5-19(18)15-24/h2-7,14H,8-13,15-16H2,1H3,(H,23,26)/p+1