1-[2-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(o-tolyl)urea CAS Name: 1-[2-[(3-cyano-7-methyl-2-quinolin-1-iumyl)amino]ethyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]ethyl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(o-tolyl)urea Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3=CC=CC=C3C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=O)NC3=CC=CC=C3C)C#N

InChI

InChI=1S/C21H21N5O/c1-14-7-8-16-12-17(13-22)20(25-19(16)11-14)23-9-10-24-21(27)26-18-6-4-3-5-15(18)2/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H2,24,26,27)/p+1