N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C23H39N3OS+2 MolecularWeight: 405.64026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H37N3OS/c1-3-26-13-5-7-21(26)17-24-23(27)10-9-19-11-14-25(15-12-19)18-20-6-4-8-22(16-20)28-2/h4,6,8,16,19,21H,3,5,7,9-15,17-18H2,1-2H3,(H,24,27)/p+2/t21-/m0/s1