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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18-20-16-3-1-2-4-17(16)23-18/h1-8H,9-13H2/p+1