N5-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridin-1-ium-2,5-diamine

Systemtic Name: N5-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridin-1-ium-2,5-diamine Openeye Name: N5-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridin-1-ium-2,5-diamine CAS Name: N5-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amine Formula: C19H17N4S+ MolecularWeight: 333.43008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=C[NH+]=C(C=C4)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=C[NH+]=C(C=C4)N

InChI

InChI=1S/C19H16N4S/c1-12-2-8-16-17(10-12)24-19(23-16)13-3-5-14(6-4-13)22-15-7-9-18(20)21-11-15/h2-11,22H,1H3,(H2,20,21)/p+1