methyl-[(3S)-1-(4-methylsulfanylphenyl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-(4-methylsulfanylphenyl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(4-methylsulfanylbenzoyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[[4-(methylthio)phenyl]-oxomethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[4-(methylthio)benzoyl]-3-piperidyl]ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2OS/c1-22(15-17-7-4-3-5-8-17)19-9-6-14-23(16-19)21(24)18-10-12-20(25-2)13-11-18/h3-5,7-8,10-13,19H,6,9,14-16H2,1-2H3/p+1/t19-/m0/s1