(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[4-(methylthio)phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[4-(methylthio)benzyl]-(3-pyridylmethyl)ammonium Formula: C25H37N3S+2 MolecularWeight: 411.64638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H35N3S/c1-29-25-10-8-21(9-11-25)18-27(20-23-5-4-14-26-17-23)19-22-12-15-28(16-13-22)24-6-2-3-7-24/h4-5,8-11,14,17,22,24H,2-3,6-7,12-13,15-16,18-20H2,1H3/p+2