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

Systemtic Name: 6-chloranyl-3-ethyl-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Openeye Name: 6-chloro-3-ethyl-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one CAS Name: 6-chloro-3-ethyl-2-[(1S)-1-(1-piperazine-1,4-diiumyl)ethyl]-4-quinazolinone IUPAC Name: 6-chloro-3-ethyl-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Traditional Name: 6-chloro-3-ethyl-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Formula: C16H23ClN4O+2 MolecularWeight: 322.83302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1C(C)[NH+]3CC[NH2+]CC3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1[C@H](C)[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C16H21ClN4O/c1-3-21-15(11(2)20-8-6-18-7-9-20)19-14-5-4-12(17)10-13(14)16(21)22/h4-5,10-11,18H,3,6-9H2,1-2H3/p+2/t11-/m0/s1