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

Systemtic Name: 5-chloranyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=O)CC4=CC=CC=C4

InChI

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