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

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

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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)Cl

Isomeric SMILES

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

InChI

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