(2S)-N-ethyl-N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(1-naphthyl)propanamide CAS Name: (2S)-N-ethyl-N-(1-naphthalenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-ethyl-N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(1-naphthyl)propionamide Formula: C28H35N3O+2 MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C(C)[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O/c1-3-31(27-17-9-15-25-14-7-8-16-26(25)27)28(32)23(2)30-21-19-29(20-22-30)18-10-13-24-11-5-4-6-12-24/h4-17,23H,3,18-22H2,1-2H3/p+2/b13-10+/t23-/m0/s1