N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-but-2-ynyl-N-(2-furylmethyl)-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-but-2-ynyl-N-(2-furanylmethyl)-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-but-2-ynyl-N-(2-furfuryl)-2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]acetamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CC#CCN(CC1=CC=CO1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C20H23N3O3S/c1-2-3-9-23(14-16-6-4-11-26-16)19(24)13-18-20(25)21-8-10-22(18)15-17-7-5-12-27-17/h4-7,11-12,18H,8-10,13-15H2,1H3,(H,21,25)/p+1/t18-/m1/s1