[(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(1S)-1-(4-cyanophenyl)ethyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)NC[C@@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C17H21N3S/c1-13(15-8-6-14(11-18)7-9-15)19-12-16(20(2)3)17-5-4-10-21-17/h4-10,13,16,19H,12H2,1-3H3/p+1/t13-,16-/m0/s1