3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-N-(4-hexylphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-N-(4-hexylphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-N-(4-hexylphenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-N-(4-hexylphenyl)-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-N-(4-hexylphenyl)-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(5-esyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(4-hexylphenyl)amine Formula: C20H31N5O3S2 MolecularWeight: 453.62184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NN=C(S3)S(=O)(=O)CC)[O-])C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NN=C(S3)S(=O)(=O)CC)[O-])C

InChI

InChI=1S/C20H31N5O3S2/c1-4-6-7-8-9-16-10-12-17(13-11-16)21-18-14-24(3)15-25(18,26)19-22-23-20(29-19)30(27,28)5-2/h10-13,18,21H,4-9,14-15H2,1-3H3