1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-cyclohexyl-urea

Systemtic Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-cyclohexyl-urea Openeye Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-cyclohexyl-urea CAS Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-cyclohexylurea IUPAC Name: 1-[2-[(3-cyano-6,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-cyclohexylurea Traditional Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-cyclohexyl-urea Formula: C21H28N5O+ MolecularWeight: 366.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3CCCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3CCCCC3)C#N)C

InChI

InChI=1S/C21H27N5O/c1-14-10-15(2)19-16(11-14)12-17(13-22)20(26-19)23-8-9-24-21(27)25-18-6-4-3-5-7-18/h10-12,18H,3-9H2,1-2H3,(H,23,26)(H2,24,25,27)/p+1