[4-(2,5-dimethylphenyl)phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(2,5-dimethylphenyl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(2,5-dimethylphenyl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(2,5-dimethylphenyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(2,5-dimethylphenyl)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C19H23N2O+ MolecularWeight: 295.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C19H22N2O/c1-14-3-4-15(2)18(13-14)16-5-7-17(8-6-16)19(22)21-11-9-20-10-12-21/h3-8,13,20H,9-12H2,1-2H3/p+1