[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H24N2OS/c1-13-4-2-5-14(12-13)17-7-9-18(10-8-17)16(19)15-6-3-11-20-15/h3,6,11,13-14H,2,4-5,7-10,12H2,1H3/p+1/t13-,14+/m1/s1