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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H37N3OS/c1-24-15-12-21(13-16-24)25(2)23(27)11-8-19-5-4-14-26(17-19)18-20-6-9-22(28-3)10-7-20/h6-7,9-10,19,21H,4-5,8,11-18H2,1-3H3/p+2/t19-/m1/s1