1,4-dithiepan-6-yl-[(5-fluoranyl-2,3-dimethyl-1H-indol-7-yl)methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(5-fluoranyl-2,3-dimethyl-1H-indol-7-yl)methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(5-fluoro-2,3-dimethyl-1H-indol-7-yl)methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(5-fluoro-2,3-dimethyl-1H-indol-7-yl)methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(5-fluoro-2,3-dimethyl-1H-indol-7-yl)methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(5-fluoro-2,3-dimethyl-1H-indol-7-yl)methyl]ammonium Formula: C16H22FN2S2+ MolecularWeight: 325.487683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(C=C(C=C12)F)C[NH2+]C3CSCCSC3)C

Isomeric SMILES

CC1=C(NC2=C(C=C(C=C12)F)C[NH2+]C3CSCCSC3)C

InChI

InChI=1S/C16H21FN2S2/c1-10-11(2)19-16-12(5-13(17)6-15(10)16)7-18-14-8-20-3-4-21-9-14/h5-6,14,18-19H,3-4,7-9H2,1-2H3/p+1