(E)-azanyl-(4-methylphenyl)-[4-(2-methylquinolin-1-ium-1-yl)butan-2-ylidene]azanium iodide

Systemtic Name: (E)-azanyl-(4-methylphenyl)-[4-(2-methylquinolin-1-ium-1-yl)butan-2-ylidene]azanium iodide Openeye Name: (E)-amino-[1-methyl-3-(2-methylquinolin-1-ium-1-yl)propylidene]-(p-tolyl)ammonium iodide CAS Name: (E)-amino-(4-methylphenyl)-[4-(2-methyl-1-quinolin-1-iumyl)butan-2-ylidene]ammonium iodide IUPAC Name: (E)-amino-(4-methylphenyl)-[4-(2-methylquinolin-1-ium-1-yl)butan-2-ylidene]azanium iodide Traditional Name: (E)-amino-[1-methyl-3-(2-methylquinolin-1-ium-1-yl)propylidene]-(p-tolyl)ammonium iodide Formula: C21H25IN3+ MolecularWeight: 446.34777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=C(C)CC[N+]2=C(C=CC3=CC=CC=C32)C)N.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)/[N+](=C(/C)\CC[N+]2=C(C=CC3=CC=CC=C32)C)/N.[I-]

InChI

InChI=1S/C21H25N3.HI/c1-16-8-12-20(13-9-16)24(22)18(3)14-15-23-17(2)10-11-19-6-4-5-7-21(19)23;/h4-13H,14-15,22H2,1-3H3;1H/q+2;/p-1/b24-18+;