3-[1-azanyl-3-[(1Z)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-yl]quinolin-1-ium-2-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[1-azanyl-3-[(1Z)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-yl]quinolin-1-ium-2-yl]propyl-trimethyl-azanium Openeye Name: 3-[1-amino-3-[(2Z)-1,1-dimethyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethyl]quinolin-1-ium-2-yl]propyl-trimethyl-ammonium CAS Name: 3-[1-amino-3-[(1Z)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-yl]-2-quinolin-1-iumyl]propyl-trimethylammonium IUPAC Name: 3-[1-amino-3-[(1Z)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-yl]quinolin-1-ium-2-yl]propyl-trimethylazanium Traditional Name: 3-[1-amino-3-[(2Z)-1,1-dimethyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethyl]quinolin-1-ium-2-yl]propyl-trimethyl-ammonium Formula: C27H36N4S+2 MolecularWeight: 448.66654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C1N(C2=CC=CC=C2S1)C)C3=CC4=CC=CC=C4[N+](=C3CCC[N+](C)(C)C)N

Isomeric SMILES

CC(C)(/C=C\1/N(C2=CC=CC=C2S1)C)C3=CC4=CC=CC=C4[N+](=C3CCC[N+](C)(C)C)N

InChI

InChI=1S/C27H36N4S/c1-27(2,19-26-29(3)24-14-9-10-16-25(24)32-26)21-18-20-12-7-8-13-22(20)30(28)23(21)15-11-17-31(4,5)6/h7-10,12-14,16,18-19H,11,15,17,28H2,1-6H3/q+2/b26-19-