3-azanyl-1-ethyl-2-oxidanyl-1-phenyl-3-(2-pyridin-3-ylethyl)-4H-isoquinolin-2-ium-2-sulfonamide

Systemtic Name: 3-azanyl-1-ethyl-2-oxidanyl-1-phenyl-3-(2-pyridin-3-ylethyl)-4H-isoquinolin-2-ium-2-sulfonamide Openeye Name: 3-amino-1-ethyl-2-hydroxy-1-phenyl-3-[2-(3-pyridyl)ethyl]-4H-isoquinolin-2-ium-2-sulfonamide CAS Name: 3-amino-1-ethyl-2-hydroxy-1-phenyl-3-[2-(3-pyridinyl)ethyl]-4H-isoquinolin-2-ium-2-sulfonamide IUPAC Name: 3-amino-1-ethyl-2-hydroxy-1-phenyl-3-(2-pyridin-3-ylethyl)-4H-isoquinolin-2-ium-2-sulfonamide Traditional Name: 3-amino-1-ethyl-2-hydroxy-1-phenyl-3-[2-(3-pyridyl)ethyl]-4H-isoquinolin-2-ium-2-sulfonamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2CC([N+]1(O)S(=O)(=O)N)(CCC3=CN=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCC1(C2=CC=CC=C2CC([N+]1(O)S(=O)(=O)N)(CCC3=CN=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C24H29N4O3S/c1-2-24(21-11-4-3-5-12-21)22-13-7-6-10-20(22)17-23(25,28(24,29)32(26,30)31)15-14-19-9-8-16-27-18-19/h3-13,16,18,29H,2,14-15,17,25H2,1H3,(H2,26,30,31)/q+1