(4-cycloheptylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanone

Systemtic Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanone Openeye Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanone CAS Name: (4-cycloheptyl-1-piperazin-4-iumyl)-(2-methoxyphenyl)methanone IUPAC Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanone Traditional Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C3CCCCCC3

InChI

InChI=1S/C19H28N2O2/c1-23-18-11-7-6-10-17(18)19(22)21-14-12-20(13-15-21)16-8-4-2-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3/p+1