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

Systemtic Name: N-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide CAS Name: N-[2-[(3-cyano-6,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(3-cyano-6,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Traditional Name: N-[2-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)C3CCCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCNC(=O)C3CCCCC3)C#N)C

InChI

InChI=1S/C21H26N4O/c1-14-10-15(2)19-17(11-14)12-18(13-22)20(25-19)23-8-9-24-21(26)16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,23,25)(H,24,26)/p+1