4-[(E)-3-phenylprop-2-enyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(E)-cinnamyl]-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(E)-cinnamyl]-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxamide Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O/c1-21(2)23-13-8-14-24(20-23)26(3,4)27-25(30)29-18-16-28(17-19-29)15-9-12-22-10-6-5-7-11-22/h5-14,20H,1,15-19H2,2-4H3,(H,27,30)/p+1/b12-9+