6,7-dimethoxy-3-(3-methoxypropyl)-2-phenethylsulfanyl-quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-phenethylsulfanyl-quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-phenethylsulfanyl-quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-(phenethylthio)-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-phenethylsulfanylquinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-3-(3-methoxypropyl)-2-(phenethylthio)quinazolin-3-ium-4-yl]amine Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+]1=C(C2=CC(=C(C=C2N=C1SCCC3=CC=CC=C3)OC)OC)N

Isomeric SMILES

COCCC[N+]1=C(C2=CC(=C(C=C2N=C1SCCC3=CC=CC=C3)OC)OC)N

InChI

InChI=1S/C22H27N3O3S/c1-26-12-7-11-25-21(23)17-14-19(27-2)20(28-3)15-18(17)24-22(25)29-13-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,23H,7,10-13H2,1-3H3/p+1