4-chloranyl-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide Openeye Name: 4-chloro-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide CAS Name: 4-chloro-N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]benzamide IUPAC Name: 4-chloro-N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]benzamide Traditional Name: 4-chloro-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide Formula: C21H20ClN4O+ MolecularWeight: 379.8627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O/c1-13-9-14(2)18-11-16(12-23)20(26-19(18)10-13)24-7-8-25-21(27)15-3-5-17(22)6-4-15/h3-6,9-11H,7-8H2,1-2H3,(H,24,26)(H,25,27)/p+1