[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-(2-hydroxyethyl)-propan-2-ylammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-ylazanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CCO)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CCO)C(C)C

InChI

InChI=1S/C20H31N3O3S/c1-4-27(25,26)20-21-15-19(16-22(13-14-24)17(2)3)23(20)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,15,17,24H,4,8,11-14,16H2,1-3H3/p+1