2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H22ClN3O3/c21-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(25)14-27-18-7-2-1-6-17(18)20(22)26/h1-7,12H,8-11,13-14H2,(H2,22,26)/p+1