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

Systemtic Name: N-cyclohexyl-N-phenyl-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-cyclohexyl-N-phenyl-acetamide CAS Name: N-cyclohexyl-N-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-cyclohexyl-N-phenyl-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-cyclohexyl-N-phenyl-acetamide Formula: C27H37N3O+2 MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O/c31-27(30(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-29-21-19-28(20-22-29)18-10-13-24-11-4-1-5-12-24/h1-2,4-7,10-15,26H,3,8-9,16-23H2/p+2/b13-10+