3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylidene)quinolin-1-yl]propyl-butyl-dimethyl-azanium

Systemtic Name: 3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylidene)quinolin-1-yl]propyl-butyl-dimethyl-azanium Openeye Name: 3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylene)-1-quinolyl]propyl-butyl-dimethyl-ammonium CAS Name: 3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylidene)-1-quinolinyl]propyl-butyl-dimethylammonium IUPAC Name: 3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylidene)quinolin-1-yl]propyl-butyl-dimethylazanium Traditional Name: 3-[(4Z)-4-(1,3-benzothiazol-2-ylmethylene)-1-quinolyl]propyl-butyl-dimethyl-ammonium Formula: C26H32N3S+ MolecularWeight: 418.61738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCCN1C=CC(=CC2=NC3=CC=CC=C3S2)C4=CC=CC=C41

Isomeric SMILES

CCCC[N+](C)(C)CCCN1C=C/C(=C/C2=NC3=CC=CC=C3S2)/C4=CC=CC=C41

InChI

InChI=1S/C26H32N3S/c1-4-5-18-29(2,3)19-10-16-28-17-15-21(22-11-6-8-13-24(22)28)20-26-27-23-12-7-9-14-25(23)30-26/h6-9,11-15,17,20H,4-5,10,16,18-19H2,1-3H3/q+1/b21-20-