6-chloranyl-3-methyl-2-[(1S)-1-[(3S)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC[NH2+]1)C(C)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2C

Isomeric SMILES

C[C@H]1C[NH+](CC[NH2+]1)[C@@H](C)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2C

InChI

InChI=1S/C16H21ClN4O/c1-10-9-21(7-6-18-10)11(2)15-19-14-5-4-12(17)8-13(14)16(22)20(15)3/h4-5,8,10-11,18H,6-7,9H2,1-3H3/p+2/t10-,11-/m0/s1