[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-(2,6-dimethylheptan-4-yl)azanium

Systemtic Name: [(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-(2,6-dimethylheptan-4-yl)azanium Openeye Name: [(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: [(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-(2,6-dimethylheptan-4-yl)ammonium IUPAC Name: [(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-(2,6-dimethylheptan-4-yl)azanium Traditional Name: [(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-(1-isobutyl-3-methyl-butyl)ammonium Formula: C17H33N2S+ MolecularWeight: 297.52232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N2S/c1-13(2)10-15(11-14(3)4)18-12-16(19(5)6)17-8-7-9-20-17/h7-9,13-16,18H,10-12H2,1-6H3/p+1/t16-/m0/s1