(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-morpholinopropyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-morpholinopropyl)ammonium Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCCN3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCCN3CCOCC3

InChI

InChI=1S/C22H34N4O3S/c1-3-30(27,28)22-23-18-21(26(22)13-10-20-8-5-4-6-9-20)19-24(2)11-7-12-25-14-16-29-17-15-25/h4-6,8-9,18H,3,7,10-17,19H2,1-2H3/p+1