(2S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CC4C(=O)NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C[C@H]4C(=O)NC5=CC=CC=C5O4

InChI

InChI=1S/C25H25N3O3/c29-24(16-23-25(30)26-21-10-3-4-11-22(21)31-23)28-14-12-27(13-15-28)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,23H,12-17H2,(H,26,30)/p+1/t23-/m0/s1