1-[4-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-methoxy-3-methylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)OC

InChI

InChI=1S/C21H26N2O2/c1-16-14-18(4-9-21(16)25-3)15-22-10-12-23(13-11-22)20-7-5-19(6-8-20)17(2)24/h4-9,14H,10-13,15H2,1-3H3/p+1