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

Systemtic Name: N-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)thiazol-3-ium-2-amine CAS Name: N-(2,4-dichlorophenyl)-4-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: N-(2,4-dichlorophenyl)-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]-(2,4-dichlorophenyl)amine Formula: C24H22Cl2N3S+ MolecularWeight: 455.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C3=CSC(=[N+]3CC=C)NC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C3=CSC(=[N+]3CC=C)NC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H21Cl2N3S/c1-4-12-28-23(15-30-24(28)27-22-11-10-18(25)14-21(22)26)20-13-16(2)29(17(20)3)19-8-6-5-7-9-19/h4-11,13-15H,1,12H2,2-3H3/p+1