[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C19H23N2O+ MolecularWeight: 295.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)19(22)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3/p+1