4-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5H-chromeno[4,3-d]pyrimidine

Systemtic Name: 4-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5H-chromeno[4,3-d]pyrimidine Openeye Name: 4-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5H-chromeno[4,3-d]pyrimidine CAS Name: 4-(3-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5H-[1]benzopyrano[4,3-d]pyrimidine IUPAC Name: 4-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5H-chromeno[4,3-d]pyrimidine Traditional Name: 4-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5H-chromeno[4,3-d]pyrimidine Formula: C22H22ClN4O+ MolecularWeight: 393.88928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C3COC4=CC=CC=C4C3=N2)C5=CC(=CC=C5)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C3COC4=CC=CC=C4C3=N2)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H21ClN4O/c1-26-9-11-27(12-10-26)22-24-20(15-5-4-6-16(23)13-15)18-14-28-19-8-3-2-7-17(19)21(18)25-22/h2-8,13H,9-12,14H2,1H3/p+1