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

Systemtic Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-but-2-ynyl-N-(2-furylmethyl)-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-but-2-ynyl-N-(2-furanylmethyl)-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-but-2-ynyl-N-(2-furfuryl)-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-4-5-10-23(15-17-7-6-13-26-17)19(24)14-18-20(25)21-9-12-22(18)11-8-16(2)3/h6-7,13,16,18H,8-12,14-15H2,1-3H3,(H,21,25)/p+1/t18-/m1/s1