6-ethyl-5-[1-(3-methoxypropyl)quinolin-1-ium-7-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[1-(3-methoxypropyl)quinolin-1-ium-7-yl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[1-(3-methoxypropyl)quinolin-1-ium-7-yl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[1-(3-methoxypropyl)-7-quinolin-1-iumyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[1-(3-methoxypropyl)quinolin-1-ium-7-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[1-(3-methoxypropyl)quinolin-1-ium-7-yl]pyrimidin-4-yl]amine Formula: C19H24N5O+ MolecularWeight: 338.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=CC=[N+]3CCCOC)C=C2

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=CC=[N+]3CCCOC)C=C2

InChI

InChI=1S/C19H23N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h4,6-9,12H,3,5,10-11H2,1-2H3,(H3,20,21,23)/p+1