3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-N-(3-propylphenyl)imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-N-(3-propylphenyl)imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(3-propylphenyl)imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(3-propylphenyl)-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(3-propylphenyl)imidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(3-propylphenyl)amine Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCCC1=CC(=CC=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C20H24N4OS/c1-3-7-15-8-6-9-16(12-15)21-19-13-23(2)14-24(19,25)20-22-17-10-4-5-11-18(17)26-20/h4-6,8-12,19,21H,3,7,13-14H2,1-2H3