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

Systemtic Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea CAS Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[(3-cyano-6,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]urea Traditional Name: 1-benzyl-3-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]urea Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)NCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H23N5O/c1-15-10-16(2)20-18(11-15)12-19(13-23)21(27-20)24-8-9-25-22(28)26-14-17-6-4-3-5-7-17/h3-7,10-12H,8-9,14H2,1-2H3,(H,24,27)(H2,25,26,28)/p+1