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

Systemtic Name: methyl-[(3S)-1-(4-methylsulfanylphenyl)carbonylpiperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-(4-methylsulfanylbenzoyl)-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[[4-(methylthio)phenyl]-oxomethyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[4-(methylthio)benzoyl]-3-piperidyl]-phenethyl-ammonium Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N2OS/c1-23(16-14-18-7-4-3-5-8-18)20-9-6-15-24(17-20)22(25)19-10-12-21(26-2)13-11-19/h3-5,7-8,10-13,20H,6,9,14-17H2,1-2H3/p+1/t20-/m0/s1