N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]acetamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-25-13-9-24-21(25)29-15-11-22-19(27)16-18-20(28)23-10-14-26(18)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9,13,18H,5,8,10-12,14-16H2,1H3,(H,22,27)(H,23,28)/p+1/t18-/m1/s1