(5S)-1-phenethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-phenethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-phenethyl-piperidin-2-one CAS Name: (5S)-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-phenethyl-2-piperidinone IUPAC Name: (5S)-1-phenethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]piperidin-2-one Traditional Name: (5S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-phenethyl-2-piperidone Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c31-26-14-13-25(22-30(26)17-15-24-10-5-2-6-11-24)27(32)29-20-18-28(19-21-29)16-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2/p+1/b12-7+/t25-/m0/s1