4-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-(4-p-anisylpiperazin-4-ium-1-yl)propyl]-1,4-benzoxazin-3-one Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O4/c1-29-19-8-6-18(7-9-19)16-24-12-14-25(15-13-24)22(27)10-11-26-20-4-2-3-5-21(20)30-17-23(26)28/h2-9H,10-17H2,1H3/p+1