[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H26N4O3S/c1-4-28(25,26)20-22-13-18(24(20)10-11-27-3)15-23(2)14-17-7-5-6-16-12-21-9-8-19(16)17/h5-9,12-13H,4,10-11,14-15H2,1-3H3/p+1