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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-cyclopentyl-ethanediamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-cyclopentyl-oxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-N'-cyclopentyloxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-cyclopentyloxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-cyclopentyl-oxamide Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NC2CCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NC2CCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H30N4O4/c1-24-8-10-25(11-9-24)17(15-6-7-18-19(12-15)29-14-28-18)13-22-20(26)21(27)23-16-4-2-3-5-16/h6-7,12,16-17H,2-5,8-11,13-14H2,1H3,(H,22,26)(H,23,27)/p+1/t17-/m1/s1