2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C25H33ClN3O3S+ MolecularWeight: 491.06582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl)C

InChI

InChI=1S/C25H32ClN3O3S/c1-24(2)14-19(15-25(3,4)28-24)27-23(30)21-13-20(9-10-22(21)26)33(31,32)29-12-11-17-7-5-6-8-18(17)16-29/h5-10,13,19,28H,11-12,14-16H2,1-4H3,(H,27,30)/p+1