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

Systemtic Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[2-[(3-cyano-6,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyphenyl)urea Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3=CC=CC=C3OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3=CC=CC=C3OC)C#N)C

InChI

InChI=1S/C22H23N5O2/c1-14-10-15(2)20-16(11-14)12-17(13-23)21(27-20)24-8-9-25-22(28)26-18-6-4-5-7-19(18)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H2,25,26,28)/p+1