5-chloranyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-chloro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-chloro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-chloro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C18H19ClN3O2+ MolecularWeight: 344.81536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18ClN3O2/c19-14-6-7-17-16(12-14)22(18(23)24-17)13-20-8-10-21(11-9-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2/p+1