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

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C26H28N4O3S/c31-26(29-16-14-28(15-17-29)19-21-8-11-27-12-9-21)23-6-3-7-25(18-23)34(32,33)30-13-10-22-4-1-2-5-24(22)20-30/h1-9,11-12,18H,10,13-17,19-20H2/p+1