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

Systemtic Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]urea Openeye Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]urea CAS Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]urea IUPAC Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]urea Traditional Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]urea Formula: C21H21ClN5O2+ MolecularWeight: 410.87674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN5O2/c1-2-29-16-7-8-18-14(12-16)11-15(13-23)20(26-18)24-9-10-25-21(28)27-19-6-4-3-5-17(19)22/h3-8,11-12H,2,9-10H2,1H3,(H,24,26)(H2,25,27,28)/p+1