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

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H26N4O3S/c30-25(28-16-14-27(15-17-28)24-10-3-4-12-26-24)21-8-5-9-23(18-21)33(31,32)29-13-11-20-6-1-2-7-22(20)19-29/h1-10,12,18H,11,13-17,19H2/p+1