[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-[2-(2-thienyl)ethyl]ammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CCC3=CC=CS3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CCC3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-13(18-8-7-15-4-2-11-21-15)14-5-6-16-17(12-14)20-10-3-9-19-16/h2,4-6,11-13,18H,3,7-10H2,1H3/p+1/t13-/m0/s1