(1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-(thian-4-yl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-(thian-4-yl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-tetrahydrothiopyran-4-yl-ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-(3-pyridinylmethyl)-(4-thianyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-(thian-4-yl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-tetrahydrothiopyran-4-yl-ammonium Formula: C22H37N3S+2 MolecularWeight: 375.61428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)C4CCSCC4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)C4CCSCC4

InChI

InChI=1S/C22H35N3S/c1-2-6-21(5-1)24-12-7-19(8-13-24)17-25(22-9-14-26-15-10-22)18-20-4-3-11-23-16-20/h3-4,11,16,19,21-22H,1-2,5-10,12-15,17-18H2/p+2