1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea Formula: C21H21ClN5O+ MolecularWeight: 394.87734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O/c1-13-9-14(2)18-11-15(12-23)20(27-19(18)10-13)24-7-8-25-21(28)26-17-5-3-16(22)4-6-17/h3-6,9-11H,7-8H2,1-2H3,(H,24,27)(H2,25,26,28)/p+1