2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-26-21-14-6-5-13-20(21)22(25)23-19-12-8-16-24(17-19)15-7-11-18-9-3-2-4-10-18/h2-6,9-10,13-14,19H,7-8,11-12,15-17H2,1H3,(H,23,25)/p+1/t19-/m0/s1