N-butyl-2-[4-(4-cyclohexylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-cyclohexylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-cyclohexylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(4-cyclohexylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-cyclohexylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-cyclohexylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H35N3O2/c1-2-3-13-24-22(27)18-25-14-16-26(17-15-25)23(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,19H,2-8,13-18H2,1H3,(H,24,27)/p+1