N-cyclopropyl-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-cyclopropyl-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-cyclopropyl-3-[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-cyclopropyl-3-[(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]propionamide Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)NC3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)NC3CC3

InChI

InChI=1S/C19H28N2OS/c1-23-18-9-4-16(5-10-18)14-21-12-2-3-15(13-21)6-11-19(22)20-17-7-8-17/h4-5,9-10,15,17H,2-3,6-8,11-14H2,1H3,(H,20,22)/p+1/t15-/m1/s1