5-(diethylamino)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 5-(diethylamino)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-5-(diethylamino)phenol CAS Name: 5-(diethylamino)-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 5-(diethylamino)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-5-(diethylamino)phenol Formula: C24H34N3O+ MolecularWeight: 380.54626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C24H33N3O/c1-3-27(4-2)23-13-12-22(24(28)19-23)20-26-17-15-25(16-18-26)14-8-11-21-9-6-5-7-10-21/h5-13,19,28H,3-4,14-18,20H2,1-2H3/p+1/b11-8+