[(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(methylthio)phenyl]ethyl]ammonium Formula: C15H27N3S+2 MolecularWeight: 281.45998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC=C(C=C2)SC

InChI

InChI=1S/C15H25N3S/c1-17-8-3-9-18(11-10-17)15(12-16)13-4-6-14(19-2)7-5-13/h4-7,15H,3,8-12,16H2,1-2H3/p+2/t15-/m0/s1