N-(4-azanyl-3-phenyl-5-pyridin-1-ium-1-yl-1,3-thiazol-2-ylidene)-4-methyl-N'-phenyl-benzenecarboximidamide chloride

Systemtic Name: N-(4-azanyl-3-phenyl-5-pyridin-1-ium-1-yl-1,3-thiazol-2-ylidene)-4-methyl-N'-phenyl-benzenecarboximidamide chloride Openeye Name: N-(4-amino-3-phenyl-5-pyridin-1-ium-1-yl-thiazol-2-ylidene)-4-methyl-N'-phenyl-benzamidine chloride CAS Name: N-[4-amino-3-phenyl-5-(1-pyridin-1-iumyl)-2-thiazolylidene]-4-methyl-N'-phenylbenzenecarboximidamide chloride IUPAC Name: N-(4-amino-3-phenyl-5-pyridin-1-ium-1-yl-1,3-thiazol-2-ylidene)-4-methyl-N'-phenylbenzenecarboximidamide chloride Traditional Name: N-(4-amino-3-phenyl-5-pyridin-1-ium-1-yl-4-thiazolin-2-ylidene)-4-methyl-N'-phenyl-benzamidine chloride Formula: C28H24ClN5S MolecularWeight: 498.04166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N=C3N(C(=C(S3)[N+]4=CC=CC=C4)N)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N=C3N(C(=C(S3)[N+]4=CC=CC=C4)N)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H24N5S.ClH/c1-21-15-17-22(18-16-21)26(30-23-11-5-2-6-12-23)31-28-33(24-13-7-3-8-14-24)25(29)27(34-28)32-19-9-4-10-20-32;/h2-20H,29H2,1H3;1H/q+1;/p-1