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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylphenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylphenyl)-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylphenyl)-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(4-butylphenyl)amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C21H26N4OS/c1-3-4-7-16-10-12-17(13-11-16)22-20-14-24(2)15-25(20,26)21-23-18-8-5-6-9-19(18)27-21/h5-6,8-13,20,22H,3-4,7,14-15H2,1-2H3