(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28N4O2S/c1-3-32(30,31)25-27-17-23(29(25)15-13-20-8-5-4-6-9-20)19-28(2)18-22-11-7-10-21-16-26-14-12-24(21)22/h4-12,14,16-17H,3,13,15,18-19H2,1-2H3/p+1