2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20ClN3O2/c1-24-17-7-6-15(20)12-14(17)13-22-8-10-23(11-9-22)19-21-16-4-2-3-5-18(16)25-19/h2-7,12H,8-11,13H2,1H3/p+1