N-(4-methylsulfanylphenyl)-4-piperidin-1-ium-1-yl-piperidine-1-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-piperidin-1-ium-1-yl-piperidine-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-piperidin-1-ium-1-yl-piperidine-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-(1-piperidin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-piperidin-1-ium-1-ylpiperidine-1-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-4-piperidin-1-ium-1-yl-piperidine-1-carboxamide Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3OS/c1-23-17-7-5-15(6-8-17)19-18(22)21-13-9-16(10-14-21)20-11-3-2-4-12-20/h5-8,16H,2-4,9-14H2,1H3,(H,19,22)/p+1