N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O/c21-19-8-6-17(7-9-19)10-11-22-20(25)24-14-12-23(13-15-24)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)/p+1