[1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-(benzothiophen-2-ylmethyl)-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-(benzothiophen-2-ylmethyl)-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=CC=CC=C3S2)[NH+]4CCC(CC4)CO

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=CC=CC=C3S2)[NH+]4CCC(CC4)CO

InChI

InChI=1S/C20H28N2OS/c23-15-16-7-10-22(11-8-16)18-5-3-9-21(13-18)14-19-12-17-4-1-2-6-20(17)24-19/h1-2,4,6,12,16,18,23H,3,5,7-11,13-15H2/p+1/t18-/m0/s1