methyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[[2-(methylthio)anilino]-oxomethyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-[[2-(methylthio)phenyl]carbamoyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4OS/c1-24(15-12-17-8-5-6-13-22-17)18-9-7-14-25(16-18)21(26)23-19-10-3-4-11-20(19)27-2/h3-6,8,10-11,13,18H,7,9,12,14-16H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1