(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-phenylthiazol-2-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(4-phenyl-2-thiazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-phenylthiazol-2-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C27H36N4S+2 MolecularWeight: 448.66654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4S/c1-2-8-24(9-3-1)26-21-32-27(29-26)20-30(19-23-7-6-14-28-17-23)18-22-12-15-31(16-13-22)25-10-4-5-11-25/h1-3,6-9,14,17,21-22,25H,4-5,10-13,15-16,18-20H2/p+2