7-chloranyl-3-ethyl-1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]quinazoline-2,4-dione

Systemtic Name: 7-chloranyl-3-ethyl-1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]quinazoline-2,4-dione Openeye Name: 7-chloro-3-ethyl-1-[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 7-chloro-3-ethyl-1-[(2R)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]quinazoline-2,4-dione IUPAC Name: 7-chloro-3-ethyl-1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]quinazoline-2,4-dione Traditional Name: 7-chloro-3-ethyl-1-[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]quinazoline-2,4-quinone Formula: C19H26ClN4O3+ MolecularWeight: 393.88774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)N2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H](C)N2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)CC

InChI

InChI=1S/C19H25ClN4O3/c1-4-21-8-10-22(11-9-21)17(25)13(3)24-16-12-14(20)6-7-15(16)18(26)23(5-2)19(24)27/h6-7,12-13H,4-5,8-11H2,1-3H3/p+1/t13-/m1/s1