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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-3-29(26,27)21-22-16-20(25(21)17-19-8-5-4-6-9-19)18-23(2)10-7-11-24-12-14-28-15-13-24/h4-6,8-9,16H,3,7,10-15,17-18H2,1-2H3/p+2