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

Systemtic Name: N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)thiazol-3-ium-2-amine CAS Name: N-(3,5-dimethoxyphenyl)-4-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: N-(3,5-dimethoxyphenyl)-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]-(3,5-dimethoxyphenyl)amine Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-6-12-28-25(24-13-18(2)29(19(24)3)21-10-8-7-9-11-21)17-32-26(28)27-20-14-22(30-4)16-23(15-20)31-5/h6-11,13-17H,1,12H2,2-5H3/p+1