2-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(E)-3-(4-dimethylaminophenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2/c1-26(2)22-11-8-20(9-12-22)10-13-24(30)28-16-14-27(15-17-28)19-23(29)25-18-21-6-4-3-5-7-21/h3-13H,14-19H2,1-2H3,(H,25,29)/p+1/b13-10+