1-(2,5-dimethylphenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-(4-p-anisylpiperazin-4-ium-1-yl)butane-1,4-dione Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-18-4-5-19(2)22(16-18)23(27)10-11-24(28)26-14-12-25(13-15-26)17-20-6-8-21(29-3)9-7-20/h4-9,16H,10-15,17H2,1-3H3/p+1