N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-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)-3-methyl-1-phenyl-butyl]acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-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)-3-methyl-1-phenyl-butyl]acetamide Formula: C26H37N3O+2 MolecularWeight: 407.59148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O/c1-22(2)20-25(24-13-7-4-8-14-24)27-26(30)21-29-18-16-28(17-19-29)15-9-12-23-10-5-3-6-11-23/h3-14,22,25H,15-21H2,1-2H3,(H,27,30)/p+2/b12-9+/t25-/m1/s1