(2R)-2-ethyl-6-methyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: (2R)-2-ethyl-6-methyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one CAS Name: (2R)-2-ethyl-6-methyl-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one Traditional Name: (2R)-4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c1-3-21-24(29)27(20-15-18(2)9-10-22(20)30-21)17-23(28)26-13-11-25(12-14-26)16-19-7-5-4-6-8-19/h4-10,15,21H,3,11-14,16-17H2,1-2H3/p+1/t21-/m1/s1