[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: [(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: [(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C16H31N2S+ MolecularWeight: 283.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC(C1=CC=CS1)N(C)C

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C1=CC=CS1)N(C)C

InChI

InChI=1S/C16H30N2S/c1-6-13(3)11-14(7-2)17-12-15(18(4)5)16-9-8-10-19-16/h8-10,13-15,17H,6-7,11-12H2,1-5H3/p+1/t13-,14-,15+/m0/s1