N-(2-bromanyl-4-methyl-phenyl)-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-N-(2-bromo-4-methyl-phenyl)-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)thiazol-3-ium-2-amine CAS Name: N-(2-bromo-4-methylphenyl)-4-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: N-(2-bromo-4-methylphenyl)-4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-allyl-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)thiazol-3-ium-2-yl]-(2-bromo-4-methyl-phenyl)amine Formula: C25H25BrN3S+ MolecularWeight: 479.4551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=[N+](C(=CS2)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)CC=C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=[N+](C(=CS2)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)CC=C)Br

InChI

InChI=1S/C25H24BrN3S/c1-5-13-28-24(16-30-25(28)27-23-12-11-17(2)14-22(23)26)21-15-18(3)29(19(21)4)20-9-7-6-8-10-20/h5-12,14-16H,1,13H2,2-4H3/p+1