[(3S,4R)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(3S,4R)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3S,4R)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-(2-thienylmethyl)ammonium CAS Name: [(3S,4R)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3S,4R)-1-benzyl-3-phenylpiperidin-1-ium-4-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(3S,4R)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-(2-thenyl)ammonium Formula: C23H28N2S+2 MolecularWeight: 364.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH2+]CC2=CC=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@@H]1[NH2+]CC2=CC=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2S/c1-3-8-19(9-4-1)17-25-14-13-23(24-16-21-12-7-15-26-21)22(18-25)20-10-5-2-6-11-20/h1-12,15,22-24H,13-14,16-18H2/p+2/t22-,23-/m1/s1