N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methylsulfanyl-N-(3-pyridylmethyl)benzamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-4-(methylthio)-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-(methylthio)-N-(3-pyridylmethyl)benzamide Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3OS/c1-30-24-10-8-22(9-11-24)25(29)28(19-21-5-4-14-26-17-21)18-20-12-15-27(16-13-20)23-6-2-3-7-23/h4-5,8-11,14,17,20,23H,2-3,6-7,12-13,15-16,18-19H2,1H3/p+1