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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-22-12-14-23(15-13-22)21(25)18-6-8-20(9-7-18)28(26,27)24-11-10-17-4-2-3-5-19(17)16-24/h2-9H,10-16H2,1H3/p+1