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

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: 5-isoquinolylmethyl-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]-methyl-ammonium Formula: C23H33N4O3S+ MolecularWeight: 445.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)17-31(28,29)22-25-14-20(27(22)11-12-30-5)16-26(4)15-19-8-6-7-18-13-24-10-9-21(18)19/h6-10,13-14H,11-12,15-17H2,1-5H3/p+1