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

Systemtic Name: 3-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H22ClN3O3/c22-17-5-3-4-16(14-17)15-23-10-12-24(13-11-23)20(26)8-9-25-18-6-1-2-7-19(18)28-21(25)27/h1-7,14H,8-13,15H2/p+1