3-[6-tert-butyl-2-(dimethylamino)quinolin-1-ium-3-yl]propylazanium

Systemtic Name: 3-[6-tert-butyl-2-(dimethylamino)quinolin-1-ium-3-yl]propylazanium Openeye Name: 3-[6-tert-butyl-2-(dimethylamino)quinolin-1-ium-3-yl]propylammonium CAS Name: 3-[6-tert-butyl-2-(dimethylamino)-3-quinolin-1-iumyl]propylammonium IUPAC Name: 3-[6-tert-butyl-2-(dimethylamino)quinolin-1-ium-3-yl]propylazanium Traditional Name: 3-[6-tert-butyl-2-(dimethylamino)quinolin-1-ium-3-yl]propylammonium Formula: C18H29N3+2 MolecularWeight: 287.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C([NH+]=C2C=C1)N(C)C)CCC[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C([NH+]=C2C=C1)N(C)C)CCC[NH3+]

InChI

InChI=1S/C18H27N3/c1-18(2,3)15-8-9-16-14(12-15)11-13(7-6-10-19)17(20-16)21(4)5/h8-9,11-12H,6-7,10,19H2,1-5H3/p+2