(4-cycloheptylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone

Systemtic Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Openeye Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone CAS Name: (4-cycloheptyl-1-piperazin-4-iumyl)-(3,5-dimethoxyphenyl)methanone IUPAC Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-cycloheptylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C3CCCCCC3)OC

InChI

InChI=1S/C20H30N2O3/c1-24-18-13-16(14-19(15-18)25-2)20(23)22-11-9-21(10-12-22)17-7-5-3-4-6-8-17/h13-15,17H,3-12H2,1-2H3/p+1