[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-2-17-8-10-18(11-9-17)16-21-12-14-22(15-13-21)20(23)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3/p+1