1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(m-tolyl)urea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(m-tolyl)urea Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H23N5O2/c1-3-29-19-7-8-20-16(13-19)12-17(14-23)21(27-20)24-9-10-25-22(28)26-18-6-4-5-15(2)11-18/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,25,26,28)/p+1