N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H31N3O3/c1-23-9-11-24(12-10-23)18(14-22-21(25)16-5-3-2-4-6-16)17-7-8-19-20(13-17)27-15-26-19/h7-8,13,16,18H,2-6,9-12,14-15H2,1H3,(H,22,25)/p+1/t18-/m1/s1