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

Systemtic Name: (2R)-2-methyl-4-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-2-methyl-4-[3-oxo-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propyl]-1,4-benzoxazin-3-one CAS Name: (2R)-2-methyl-4-[3-oxo-3-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]propyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-2-methyl-4-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propyl]-1,4-benzoxazin-3-one Traditional Name: (2R)-4-[3-keto-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]propyl]-2-methyl-1,4-benzoxazin-3-one Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H32N4O4/c1-18-23(30)27(19-7-3-4-8-20(19)31-18)12-9-21(28)26-15-13-24(14-16-26)17-22(29)25-10-5-2-6-11-25/h3-4,7-8,18H,2,5-6,9-17H2,1H3/p+1/t18-/m1/s1