3-[1-azanyl-3-[(1Z)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-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)-3-phenyl-propan-2-yl]quinolin-1-ium-2-yl]propyl-trimethyl-azanium Openeye Name: 3-[1-amino-3-[(2Z)-1-benzyl-1-methyl-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)-3-phenylpropan-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)-3-phenylpropan-2-yl]quinolin-1-ium-2-yl]propyl-trimethylazanium Traditional Name: 3-[1-amino-3-[(2Z)-1-benzyl-1-methyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethyl]quinolin-1-ium-2-yl]propyl-trimethyl-ammonium Formula: C33H40N4S+2 MolecularWeight: 524.7625

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C=C2N(C3=CC=CC=C3S2)C)C4=CC5=CC=CC=C5[N+](=C4CCC[N+](C)(C)C)N

Isomeric SMILES

CC(CC1=CC=CC=C1)(/C=C\2/N(C3=CC=CC=C3S2)C)C4=CC5=CC=CC=C5[N+](=C4CCC[N+](C)(C)C)N

InChI

InChI=1S/C33H40N4S/c1-33(23-25-14-7-6-8-15-25,24-32-35(2)30-18-11-12-20-31(30)38-32)27-22-26-16-9-10-17-28(26)36(34)29(27)19-13-21-37(3,4)5/h6-12,14-18,20,22,24H,13,19,21,23,34H2,1-5H3/q+2/b32-24-