(3,4-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,4-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,4-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3,4-dimethylphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,4-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,4-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O/c1-17-8-9-20(16-18(17)2)21(24)23-14-12-22(13-15-23)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3/p+1