methyl-[(3S)-1-(2-methylsulfanylethanoyl)piperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-(2-methylsulfanylethanoyl)piperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-(2-methylsulfanylacetyl)-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[2-(methylthio)-1-oxoethyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-(2-methylsulfanylacetyl)piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[2-(methylthio)acetyl]-3-piperidyl]-phenethyl-ammonium Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CSC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC

InChI

InChI=1S/C17H26N2OS/c1-18(12-10-15-7-4-3-5-8-15)16-9-6-11-19(13-16)17(20)14-21-2/h3-5,7-8,16H,6,9-14H2,1-2H3/p+1/t16-/m0/s1