N-(2-methylphenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(2-methylphenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-4-(4-nitrophenyl)-N-(o-tolyl)thiazol-3-ium-2-amine CAS Name: N-(2-methylphenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: N-(2-methylphenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-allyl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-(o-tolyl)amine Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C19H17N3O2S/c1-3-12-21-18(15-8-10-16(11-9-15)22(23)24)13-25-19(21)20-17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3/p+1