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

Systemtic Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-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)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C(=O)COC5=CC=CC=C54

InChI

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