4-chloranyl-7-[3-(1-methylpiperazin-1-ium-1-yl)propoxy]-5-(oxan-4-yloxy)quinazoline

Systemtic Name: 4-chloranyl-7-[3-(1-methylpiperazin-1-ium-1-yl)propoxy]-5-(oxan-4-yloxy)quinazoline Openeye Name: 4-chloro-7-[3-(1-methylpiperazin-1-ium-1-yl)propoxy]-5-tetrahydropyran-4-yloxy-quinazoline CAS Name: 4-chloro-7-[3-(1-methyl-1-piperazin-1-iumyl)propoxy]-5-(4-oxanyloxy)quinazoline IUPAC Name: 4-chloro-7-[3-(1-methylpiperazin-1-ium-1-yl)propoxy]-5-(oxan-4-yloxy)quinazoline Traditional Name: 4-chloro-7-[3-(1-methylpiperazin-1-ium-1-yl)propoxy]-5-tetrahydropyran-4-yloxy-quinazoline Formula: C21H30ClN4O3+ MolecularWeight: 421.9409

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCOC2=CC(=C3C(=C2)N=CN=C3Cl)OC4CCOCC4

Isomeric SMILES

C[N+]1(CCNCC1)CCCOC2=CC(=C3C(=C2)N=CN=C3Cl)OC4CCOCC4

InChI

InChI=1S/C21H30ClN4O3/c1-26(8-5-23-6-9-26)7-2-10-28-17-13-18-20(21(22)25-15-24-18)19(14-17)29-16-3-11-27-12-4-16/h13-16,23H,2-12H2,1H3/q+1