6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diisopropyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-di(propan-2-yl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diisopropyl-pyridin-1-ium-3-sulfonamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H27N3O2S/c1-15(2)23(16(3)4)26(24,25)19-9-10-20(21-13-19)22-12-11-17-7-5-6-8-18(17)14-22/h5-10,13,15-16H,11-12,14H2,1-4H3/p+1