3-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-(4-p-anisylpiperazin-4-ium-1-yl)propyl]-1,3-benzoxazol-2-one Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O4/c1-28-18-8-6-17(7-9-18)16-23-12-14-24(15-13-23)21(26)10-11-25-19-4-2-3-5-20(19)29-22(25)27/h2-9H,10-16H2,1H3/p+1