4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)prop-1-enyl]-3-methyl-aniline iodide

Systemtic Name: 4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)prop-1-enyl]-3-methyl-aniline iodide Openeye Name: 4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)prop-1-enyl]-3-methyl-aniline iodide CAS Name: 4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)prop-1-enyl]-3-methylaniline iodide IUPAC Name: 4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)prop-1-enyl]-3-methylaniline iodide Traditional Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)prop-1-enyl]-3-methyl-phenyl]amine iodide Formula: C21H23IN2 MolecularWeight: 430.32519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C(=CC3=C(C=C(C=C3)N)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C(=C/C3=C(C=C(C=C3)N)C)/C.[I-]

InChI

InChI=1S/C21H22N2.HI/c1-4-23-20(12-10-17-7-5-6-8-21(17)23)16(3)13-18-9-11-19(22)14-15(18)2;/h5-14,22H,4H2,1-3H3;1H