1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-ethylphenyl)urea

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-ethylphenyl)urea Openeye Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-ethylphenyl)urea CAS Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3-(2-ethylphenyl)urea IUPAC Name: 1-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3-(2-ethylphenyl)urea Traditional Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-ethylphenyl)urea Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NCCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NCCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C24H27N5O/c1-4-18-8-5-6-9-21(18)29-24(30)27-11-7-10-26-23-19(15-25)14-20-17(3)12-16(2)13-22(20)28-23/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,26,28)(H2,27,29,30)/p+1