N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-naphthamide Formula: C24H25ClN3O2+ MolecularWeight: 422.9272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24ClN3O2/c25-22-7-3-4-18(14-22)17-27-10-12-28(13-11-27)23(29)16-26-24(30)21-9-8-19-5-1-2-6-20(19)15-21/h1-9,14-15H,10-13,16-17H2,(H,26,30)/p+1