N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propyl-ethanediamide

Systemtic Name: N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propyl-ethanediamide Openeye Name: N'-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propyl-oxamide CAS Name: N'-[(2S)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-N-propyloxamide IUPAC Name: N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propyloxamide Traditional Name: N'-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propyl-oxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)NCC(C1=CC=CO1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C(=O)NC[C@@H](C1=CC=CO1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-2-10-22-20(26)21(27)23-16-18(19-9-6-15-28-19)25-13-11-24(12-14-25)17-7-4-3-5-8-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,22,26)(H,23,27)/p+1/t18-/m0/s1