3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-ethyl-1-[(E)-hex-4-enyl]-3-oxidanidyl-N-(phenylmethyl)imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-ethyl-1-[(E)-hex-4-enyl]-3-oxidanidyl-N-(phenylmethyl)imidazolidin-3-ium-4-amine Openeye Name: N-benzyl-3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-ethyl-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-ethyl-1-[(E)-hex-4-enyl]-3-oxido-N-(phenylmethyl)-4-imidazolidin-3-iumamine IUPAC Name: N-benzyl-3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-ethyl-1-[(E)-hex-4-enyl]-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: benzyl-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-yl]-ethyl-amine Formula: C24H35N5OS MolecularWeight: 441.6326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2CN(C[N+]2(C3=NN=C(S3)C4CCC4)[O-])CCCC=CC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2CN(C[N+]2(C3=NN=C(S3)C4CCC4)[O-])CCC/C=C/C

InChI

InChI=1S/C24H35N5OS/c1-3-5-6-10-16-27-18-22(28(4-2)17-20-12-8-7-9-13-20)29(30,19-27)24-26-25-23(31-24)21-14-11-15-21/h3,5,7-9,12-13,21-22H,4,6,10-11,14-19H2,1-2H3/b5-3+