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

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)C3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)C3CCOCC3

InChI

InChI=1S/C21H31N3O3S/c1-3-28(25,26)21-22-16-20(17-23(2)19-11-14-27-15-12-19)24(21)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,16,19H,3,7,10-15,17H2,1-2H3/p+1