3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O3S/c1-19-6-5-13-26(17-19)15-12-25-24(28)21-9-4-10-23(16-21)31(29,30)27-14-11-20-7-2-3-8-22(20)18-27/h2-4,7-10,16,19H,5-6,11-15,17-18H2,1H3,(H,25,28)/p+1/t19-/m0/s1