2-[4-[(E)-3-chloranylprop-2-enyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-chloranylprop-2-enyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(E)-3-chloroallyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-3-chloroprop-2-enyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(E)-3-chloroallyl]piperazin-1-ium-1-yl]acetamide Formula: C16H23ClN3O+ MolecularWeight: 308.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC=CCl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C/C=C/Cl

InChI

InChI=1S/C16H22ClN3O/c17-7-4-8-19-9-11-20(12-10-19)14-16(21)18-13-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,18,21)/p+1/b7-4+