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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]urea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]urea Traditional Name: 1-benzyl-3-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]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)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2/c1-2-29-19-8-9-20-17(13-19)12-18(14-23)21(27-20)24-10-11-25-22(28)26-15-16-6-4-3-5-7-16/h3-9,12-13H,2,10-11,15H2,1H3,(H,24,27)(H2,25,26,28)/p+1