N-[(3-bromophenyl)methyl]-1-ethyl-N-methyl-3-oxidanidyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-amine

Systemtic Name: N-[(3-bromophenyl)methyl]-1-ethyl-N-methyl-3-oxidanidyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-amine Openeye Name: N-[(3-bromophenyl)methyl]-1-ethyl-N-methyl-3-oxido-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-amine CAS Name: N-[(3-bromophenyl)methyl]-1-ethyl-N-methyl-3-oxido-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumamine IUPAC Name: N-[(3-bromophenyl)methyl]-1-ethyl-N-methyl-3-oxido-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-amine Traditional Name: [3-(5-amyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3-oxido-imidazolidin-3-ium-4-yl]-(3-bromobenzyl)-methyl-amine Formula: C20H30BrN5OS MolecularWeight: 468.4541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)[N+]2(CN(CC2N(C)CC3=CC(=CC=C3)Br)CC)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)[N+]2(CN(CC2N(C)CC3=CC(=CC=C3)Br)CC)[O-]

InChI

InChI=1S/C20H30BrN5OS/c1-4-6-7-11-18-22-23-20(28-18)26(27)15-25(5-2)14-19(26)24(3)13-16-9-8-10-17(21)12-16/h8-10,12,19H,4-7,11,13-15H2,1-3H3