N-[(1R)-1-naphthalen-2-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-naphthalen-2-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-(2-naphthyl)ethyl]acetamide CAS Name: N-[(1R)-1-(2-naphthalenyl)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-naphthalen-2-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-(2-naphthyl)ethyl]acetamide Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-22(25-14-13-24-11-5-6-12-26(24)20-25)28-27(31)21-30-18-16-29(17-19-30)15-7-10-23-8-3-2-4-9-23/h2-14,20,22H,15-19,21H2,1H3,(H,28,31)/p+2/b10-7+/t22-/m1/s1