[2-[dodecyl(phenyl)amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-[dodecyl(phenyl)amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(N-dodecylanilino)-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(N-dodecylanilino)-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(N-dodecylanilino)-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [5-(1-ethylpropoxy)-2-(N-laurylanilino)-1,3-benzothiazol-6-yl]iminoammonium Formula: C30H45N4OS+ MolecularWeight: 509.7695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C1=CC=CC=C1)C2=NC3=CC(=C(C=C3S2)N=[NH2+])OC(CC)CC

Isomeric SMILES

CCCCCCCCCCCCN(C1=CC=CC=C1)C2=NC3=CC(=C(C=C3S2)N=[NH2+])OC(CC)CC

InChI

InChI=1S/C30H44N4OS/c1-4-7-8-9-10-11-12-13-14-18-21-34(24-19-16-15-17-20-24)30-32-27-22-28(35-25(5-2)6-3)26(33-31)23-29(27)36-30/h15-17,19-20,22-23,25,31H,4-14,18,21H2,1-3H3/p+1