3-(1,3-benzothiazol-2-yl)-N-(2,6-diethoxyphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2,6-diethoxyphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2,6-diethoxyphenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(2,6-diethoxyphenyl)-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2,6-diethoxyphenyl)-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]-(2,6-diethoxyphenyl)amine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)OCC)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCOC1=C(C(=CC=C1)OCC)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C21H26N4O3S/c1-4-27-16-10-8-11-17(28-5-2)20(16)23-19-13-24(3)14-25(19,26)21-22-15-9-6-7-12-18(15)29-21/h6-12,19,23H,4-5,13-14H2,1-3H3