3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methyl-azanium

Systemtic Name: 3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methyl-azanium Openeye Name: 3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methyl-ammonium CAS Name: 3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methylammonium IUPAC Name: 3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methylazanium Traditional Name: 3-[(6R)-6H-benzo[b][1,5]benzoxathiepin-6-yl]propyl-methyl-ammonium Formula: C17H20NOS+ MolecularWeight: 286.4118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC1C2=CC=CC=C2OC3=CC=CC=C3S1

Isomeric SMILES

C[NH2+]CCC[C@@H]1C2=CC=CC=C2OC3=CC=CC=C3S1

InChI

InChI=1S/C17H19NOS/c1-18-12-6-11-16-13-7-2-3-8-14(13)19-15-9-4-5-10-17(15)20-16/h2-5,7-10,16,18H,6,11-12H2,1H3/p+1/t16-/m1/s1