(3R)-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4-(2-thienylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-methylpiperidino)ethyl]-4-(2-thenyl)piperazin-4-ium-2-one Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C17H25N3O2S/c1-13-4-7-19(8-5-13)16(21)11-15-17(22)18-6-9-20(15)12-14-3-2-10-23-14/h2-3,10,13,15H,4-9,11-12H2,1H3,(H,18,22)/p+1/t15-/m1/s1