methyl-[(1R)-2-phenyl-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-2-phenyl-1-[1-(4-thianyl)-4-piperidin-1-iumyl]ethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)ethyl]-(4-pyridylmethyl)ammonium Formula: C25H37N3S+2 MolecularWeight: 411.64638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C25H35N3S/c1-27(20-22-7-13-26-14-8-22)25(19-21-5-3-2-4-6-21)23-9-15-28(16-10-23)24-11-17-29-18-12-24/h2-8,13-14,23-25H,9-12,15-20H2,1H3/p+2/t25-/m1/s1