(2R)-N-(3-cyanophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(3-cyanophenyl)propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(3-cyanophenyl)propionamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O/c1-19(23(28)25-22-11-5-9-21(17-22)18-24)27-15-13-26(14-16-27)12-6-10-20-7-3-2-4-8-20/h2-11,17,19H,12-16H2,1H3,(H,25,28)/p+1/b10-6+/t19-/m1/s1