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

Systemtic Name: (2R)-N-methyl-N-(phenylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzyl-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-methyl-N-(phenylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O/c1-21(24(28)25(2)20-23-12-7-4-8-13-23)27-18-16-26(17-19-27)15-9-14-22-10-5-3-6-11-22/h3-14,21H,15-20H2,1-2H3/p+1/b14-9+/t21-/m1/s1