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

Systemtic Name: [4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C25H26ClN4O3S+ MolecularWeight: 498.01694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5)Cl

InChI

InChI=1S/C25H25ClN4O3S/c26-23-6-5-20(25(31)29-15-13-28(14-16-29)22-7-10-27-11-8-22)17-24(23)34(32,33)30-12-9-19-3-1-2-4-21(19)18-30/h1-8,10-11,17H,9,12-16,18H2/p+1