(3,4-dimethylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-dimethylphenyl)methanone CAS Name: (3,4-dimethylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-dimethylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-dimethylphenyl)methanone Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

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