4-(4-bromophenyl)-N3-(cyclopenten-1-yl)-N2-(3-methoxyphenyl)-1,3-thiazol-3-ium-2,3-diamine

Systemtic Name: 4-(4-bromophenyl)-N3-(cyclopenten-1-yl)-N2-(3-methoxyphenyl)-1,3-thiazol-3-ium-2,3-diamine Openeye Name: 4-(4-bromophenyl)-N3-(cyclopenten-1-yl)-N2-(3-methoxyphenyl)thiazol-3-ium-2,3-diamine CAS Name: 4-(4-bromophenyl)-N3-(1-cyclopentenyl)-N2-(3-methoxyphenyl)thiazol-3-ium-2,3-diamine IUPAC Name: 4-(4-bromophenyl)-3-N-(cyclopenten-1-yl)-2-N-(3-methoxyphenyl)-1,3-thiazol-3-ium-2,3-diamine Traditional Name: [4-(4-bromophenyl)-3-(cyclopenten-1-ylamino)thiazol-3-ium-2-yl]-(3-methoxyphenyl)amine Formula: C21H21BrN3OS+ MolecularWeight: 443.37994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)NC4=CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)NC4=CCCC4

InChI

InChI=1S/C21H20BrN3OS/c1-26-19-8-4-7-18(13-19)23-21-25(24-17-5-2-3-6-17)20(14-27-21)15-9-11-16(22)12-10-15/h4-5,7-14,24H,2-3,6H2,1H3/p+1