N'-ethyl-N'-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine

Systemtic Name: N'-ethyl-N'-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine Openeye Name: N'-ethyl-N'-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]propane-1,3-diamine CAS Name: N'-ethyl-N'-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]propane-1,3-diamine IUPAC Name: N'-ethyl-N'-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]amine Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CCN(CCCN)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C

InChI

InChI=1S/C20H26N5OS/c1-4-25(13-5-12-21)16-8-6-15(7-9-16)22-23-20-24(2)18-11-10-17(26-3)14-19(18)27-20/h6-11,14H,4-5,12-13,21H2,1-3H3/q+1