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

Systemtic Name: N-[3-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]cyclobutanecarboxamide Openeye Name: N-[3-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]cyclobutanecarboxamide CAS Name: N-[3-[(3-cyano-6,8-dimethyl-2-quinolin-1-iumyl)amino]propyl]cyclobutanecarboxamide IUPAC Name: N-[3-[(3-cyano-6,8-dimethylquinolin-1-ium-2-yl)amino]propyl]cyclobutanecarboxamide Traditional Name: N-[3-[(3-cyano-6,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]cyclobutanecarboxamide Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3CCC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3CCC3)C#N)C

InChI

InChI=1S/C20H24N4O/c1-13-9-14(2)18-16(10-13)11-17(12-21)19(24-18)22-7-4-8-23-20(25)15-5-3-6-15/h9-11,15H,3-8H2,1-2H3,(H,22,24)(H,23,25)/p+1