(1-methylimidazol-2-yl)methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (1-methylimidazol-2-yl)methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[(1-methylimidazol-2-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]ammonium CAS Name: (1-methyl-2-imidazolyl)methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-propan-2-ylammonium IUPAC Name: (1-methylimidazol-2-yl)methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C22H32N5O2S+ MolecularWeight: 430.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN=C(N1CCCC2=CC=CC=C2)S(=O)(=O)C)CC3=NC=CN3C

Isomeric SMILES

CC(C)[NH+](CC1=CN=C(N1CCCC2=CC=CC=C2)S(=O)(=O)C)CC3=NC=CN3C

InChI

InChI=1S/C22H31N5O2S/c1-18(2)26(17-21-23-12-14-25(21)3)16-20-15-24-22(30(4,28)29)27(20)13-8-11-19-9-6-5-7-10-19/h5-7,9-10,12,14-15,18H,8,11,13,16-17H2,1-4H3/p+1