5-chloranyl-7-[4-[(3-phenylphenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-7-[4-[(3-phenylphenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: 5-chloro-7-[4-[(3-phenylphenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one CAS Name: 5-chloro-7-[4-[(3-phenylphenyl)methyl]-1-piperazin-4-iumyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 5-chloro-7-[4-[(3-phenylphenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Traditional Name: 5-chloro-7-[4-(3-phenylbenzyl)piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Formula: C24H23ClN3O2+ MolecularWeight: 420.91132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=C5C(=CC(=C4)Cl)NC(=O)O5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=C5C(=CC(=C4)Cl)NC(=O)O5

InChI

InChI=1S/C24H22ClN3O2/c25-20-14-21-23(30-24(29)26-21)22(15-20)28-11-9-27(10-12-28)16-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-8,13-15H,9-12,16H2,(H,26,29)/p+1