6-chloranyl-3-methyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-methyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Openeye Name: 6-chloro-3-methyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one CAS Name: 6-chloro-3-methyl-2-[(1R)-1-(1-piperazine-1,4-diiumyl)ethyl]-4-quinazolinone IUPAC Name: 6-chloro-3-methyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Traditional Name: 6-chloro-3-methyl-2-[(1R)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Formula: C15H21ClN4O+2 MolecularWeight: 308.80644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=C(C=C2)Cl)C(=O)N1C)[NH+]3CC[NH2+]CC3

Isomeric SMILES

C[C@H](C1=NC2=C(C=C(C=C2)Cl)C(=O)N1C)[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C15H19ClN4O/c1-10(20-7-5-17-6-8-20)14-18-13-4-3-11(16)9-12(13)15(21)19(14)2/h3-4,9-10,17H,5-8H2,1-2H3/p+2/t10-/m1/s1