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

Systemtic Name: N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N-butyl-N'-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide CAS Name: N-butyl-N'-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]oxamide IUPAC Name: N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N-butyl-N'-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-2-3-11-23-21(27)22(28)24-17-19(20-10-7-16-29-20)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h4-10,16,19H,2-3,11-15,17H2,1H3,(H,23,27)(H,24,28)/p+1/t19-/m1/s1