N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline

Systemtic Name: N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline Openeye Name: N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-(2-pyridin-1-ium-1-ylethyl)aniline CAS Name: N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-[2-(1-pyridin-1-iumyl)ethyl]aniline IUPAC Name: N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline Traditional Name: ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-(2-pyridin-1-ium-1-ylethyl)amine Formula: C24H27N5OS+2 MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C4=C(S3)C=C(C=C4)OC)C

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C4=C(S3)C=C(C=C4)OC)C

InChI

InChI=1S/C24H27N5OS/c1-4-29(17-16-28-14-6-5-7-15-28)20-10-8-19(9-11-20)25-26-24-27(2)22-13-12-21(30-3)18-23(22)31-24/h5-15,18H,4,16-17H2,1-3H3/q+2