2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S/c1-18-9-10-21(30(28,29)26-12-5-2-6-13-26)15-22(18)24-23(27)17-25-14-11-19-7-3-4-8-20(19)16-25/h3-4,7-11,14-16H,2,5-6,12-13,17H2,1H3/p+1