(4-cyclohexylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-(3,4-diethoxyphenyl)methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3CCCCC3)OCC

InChI

InChI=1S/C21H32N2O3/c1-3-25-19-11-10-17(16-20(19)26-4-2)21(24)23-14-12-22(13-15-23)18-8-6-5-7-9-18/h10-11,16,18H,3-9,12-15H2,1-2H3/p+1