(4-fluorophenyl)-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-methyl-(4-oxidanylidenebutyl)azanium

Systemtic Name: (4-fluorophenyl)-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-methyl-(4-oxidanylidenebutyl)azanium Openeye Name: (4-fluorophenyl)-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl]-methyl-(4-oxobutyl)ammonium CAS Name: (4-fluorophenyl)-[[1-(5-isoquinolinylsulfonyl)-4-piperidinyl]methyl]-methyl-(4-oxobutyl)ammonium IUPAC Name: (4-fluorophenyl)-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-methyl-(4-oxobutyl)azanium Traditional Name: (4-fluorophenyl)-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl]-(4-ketobutyl)-methyl-ammonium Formula: C26H31FN3O3S+ MolecularWeight: 484.606043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCC=O)(CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[N+](CCCC=O)(CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN3O3S/c1-30(17-2-3-18-31,24-9-7-23(27)8-10-24)20-21-12-15-29(16-13-21)34(32,33)26-6-4-5-22-19-28-14-11-25(22)26/h4-11,14,18-19,21H,2-3,12-13,15-17,20H2,1H3/q+1