[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C25H28N2O2/c1-25(2,29)15-14-22-10-12-23(13-11-22)24(28)27-19-17-26(18-20-27)16-6-9-21-7-4-3-5-8-21/h3-13,29H,16-20H2,1-2H3/p+1/b9-6+