methyl-[(3R,4R)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(2-methylbenzothiophen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[(2-methylbenzothiophen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H31N3OS+2 MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2S1)C[NH+]3CCC(C(C3)O)[NH+](C)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2S1)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+](C)CCC4=CC=CC=N4

InChI

InChI=1S/C23H29N3OS/c1-17-20(19-8-3-4-9-23(19)28-17)15-26-14-11-21(22(27)16-26)25(2)13-10-18-7-5-6-12-24-18/h3-9,12,21-22,27H,10-11,13-16H2,1-2H3/p+2/t21-,22-/m1/s1