[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(4-morpholin-4-ium-4-ylbutyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(4-morpholin-4-ium-4-ylbutyl)azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(4-morpholin-4-ium-4-ylbutyl)ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-[4-(4-morpholin-4-iumyl)butyl]ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(4-morpholin-4-ium-4-ylbutyl)azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-(4-morpholin-4-ium-4-ylbutyl)ammonium Formula: C22H36N4O3S+2 MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCCC[NH+]3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCCC[NH+]3CCOCC3

InChI

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