[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C2=CC=CS2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C13H20N2OS/c1-3-11(2)14-6-8-15(9-7-14)13(16)12-5-4-10-17-12/h4-5,10-11H,3,6-9H2,1-2H3/p+1/t11-/m0/s1