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

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-ethanoylphenyl)urea Openeye Name: 1-(3-acetylphenyl)-3-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]urea CAS Name: 1-(3-acetylphenyl)-3-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]urea Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)NC3=CC=CC(=C3)C(=O)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)NC3=CC=CC(=C3)C(=O)C)C#N)C

InChI

InChI=1S/C24H25N5O2/c1-15-10-16(2)21-13-19(14-25)23(29-22(21)11-15)26-8-5-9-27-24(31)28-20-7-4-6-18(12-20)17(3)30/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,26,29)(H2,27,28,31)/p+1