3-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-1,3-benzoxazol-2-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O3/c26-21(11-6-12-25-19-9-4-5-10-20(19)28-22(25)27)24-15-13-23(14-16-24)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2/p+1