3-[4-[5-[1-(dimethylamino)piperidin-1-ium-1-yl]pentyl]-2-oxidanylidene-1H-quinolin-3-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-[1-(dimethylamino)piperidin-1-ium-1-yl]pentyl]-2-oxidanylidene-1H-quinolin-3-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-[1-(dimethylamino)piperidin-1-ium-1-yl]pentyl]-2-oxo-1H-quinolin-3-yl]benzamidine CAS Name: 3-[4-[5-[1-(dimethylamino)-1-piperidin-1-iumyl]pentyl]-2-oxo-1H-quinolin-3-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-[1-(dimethylamino)piperidin-1-ium-1-yl]pentyl]-2-oxo-1H-quinolin-3-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-[1-(dimethylamino)piperidin-1-ium-1-yl]pentyl]-2-keto-1H-quinolin-3-yl]benzamidine Formula: C28H38N5O+ MolecularWeight: 460.63422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(CCCCC1)CCCCCC2=C(C(=O)NC3=CC=CC=C32)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CN(C)[N+]1(CCCCC1)CCCCCC2=C(C(=O)NC3=CC=CC=C32)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C28H37N5O/c1-32(2)33(18-9-4-10-19-33)17-8-3-5-15-24-23-14-6-7-16-25(23)31-28(34)26(24)21-12-11-13-22(20-21)27(29)30/h6-7,11-14,16,20H,3-5,8-10,15,17-19H2,1-2H3,(H3-,29,30,31,34)/p+1