1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium Formula: C22H29N2+ MolecularWeight: 321.47906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2/c1-18-9-10-20(3)22(16-18)24-13-11-23(12-14-24)17-19(2)15-21-7-5-4-6-8-21/h4-10,15-16H,11-14,17H2,1-3H3/p+1/b19-15+