(4-cycloheptylpiperazin-4-ium-1-yl)-(4-phenylphenyl)methanone

Systemtic Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(4-phenylphenyl)methanone Openeye Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(4-phenylphenyl)methanone CAS Name: (4-cycloheptyl-1-piperazin-4-iumyl)-(4-phenylphenyl)methanone IUPAC Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(4-phenylphenyl)methanone Traditional Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(4-phenylphenyl)methanone Formula: C24H31N2O+ MolecularWeight: 363.51574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O/c27-24(22-14-12-21(13-15-22)20-8-4-3-5-9-20)26-18-16-25(17-19-26)23-10-6-1-2-7-11-23/h3-5,8-9,12-15,23H,1-2,6-7,10-11,16-19H2/p+1