[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-(5-isoxazolylmethyl)-methylammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

InChI

InChI=1S/C20H26N4O3S/c1-3-28(25,26)20-21-14-18(15-23(2)16-19-11-12-22-27-19)24(20)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3/p+1