[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C23H29ClN3O3S+ MolecularWeight: 463.01266

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28ClN3O3S/c1-2-10-25-12-14-26(15-13-25)23(28)19-7-8-21(24)22(16-19)31(29,30)27-11-9-18-5-3-4-6-20(18)17-27/h3-8,16H,2,9-15,17H2,1H3/p+1