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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2,6-dimethylphenyl)urea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2,6-dimethylphenyl)urea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(2,6-dimethylphenyl)urea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2,6-dimethylphenyl)urea Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H25N5O2/c1-4-30-19-8-9-20-17(13-19)12-18(14-24)22(27-20)25-10-11-26-23(29)28-21-15(2)6-5-7-16(21)3/h5-9,12-13H,4,10-11H2,1-3H3,(H,25,27)(H2,26,28,29)/p+1