N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide CAS Name: N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide Formula: C21H29N5O2+2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C[NH+]=C(N1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-16-14-23-19(24-16)15-25(2)20(27)13-18-21(28)22-10-12-26(18)11-6-9-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,28)(H,23,24)/p+2/b9-6+/t18-/m1/s1