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

Systemtic Name: 6-chloranyl-3-ethyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one Openeye Name: 6-chloro-3-ethyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one CAS Name: 6-chloro-3-ethyl-2-[(1S)-1-[(3R)-3-methyl-1-piperazine-1,4-diiumyl]ethyl]-4-quinazolinone IUPAC Name: 6-chloro-3-ethyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one Traditional Name: 6-chloro-3-ethyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one Formula: C17H25ClN4O+2 MolecularWeight: 336.8596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1C(C)[NH+]3CC[NH2+]C(C3)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1[C@H](C)[NH+]3CC[NH2+][C@@H](C3)C

InChI

InChI=1S/C17H23ClN4O/c1-4-22-16(12(3)21-8-7-19-11(2)10-21)20-15-6-5-13(18)9-14(15)17(22)23/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3/p+2/t11-,12+/m1/s1