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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-urea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-urea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-phenylurea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-phenylurea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-urea Formula: C21H22N5O2+ MolecularWeight: 376.43168

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-2-28-18-8-9-19-15(13-18)12-16(14-22)20(26-19)23-10-11-24-21(27)25-17-6-4-3-5-7-17/h3-9,12-13H,2,10-11H2,1H3,(H,23,26)(H2,24,25,27)/p+1