2-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl-(isopropylcarbamoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(3-ethylsulfonyloxy-4-methoxyphenyl)methyl-[oxo-(propan-2-ylamino)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethylsulfonyloxy-4-methoxyphenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-esyloxy-4-methoxy-benzyl)-(isopropylcarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C18H32N3O5S+ MolecularWeight: 402.52878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)NC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)NC(C)C)OC

InChI

InChI=1S/C18H31N3O5S/c1-7-27(23,24)26-17-12-15(8-9-16(17)25-6)13-21(11-10-20(4)5)18(22)19-14(2)3/h8-9,12,14H,7,10-11,13H2,1-6H3,(H,19,22)/p+1