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

Systemtic Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3O2/c20-16-7-5-15(6-8-16)13-21-9-11-22(12-10-21)14-23-17-3-1-2-4-18(17)25-19(23)24/h1-8H,9-14H2/p+1