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

Systemtic Name: 4-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H24ClN3O3/c23-18-5-3-4-17(14-18)15-24-10-12-25(13-11-24)21(27)8-9-26-19-6-1-2-7-20(19)29-16-22(26)28/h1-7,14H,8-13,15-16H2/p+1