2-[1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]piperidin-4-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]piperidin-4-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-[(5-chlorobenzothiophen-3-yl)methyl]-4-piperidyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-piperidinyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidin-4-yl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-[(5-chlorobenzothiophen-3-yl)methyl]-4-piperidyl]-1-oxido-pyridin-1-ium Formula: C19H19ClN2OS MolecularWeight: 358.88496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN2OS/c20-16-4-5-19-17(11-16)15(13-24-19)12-21-9-6-14(7-10-21)18-3-1-2-8-22(18)23/h1-5,8,11,13-14H,6-7,9-10,12H2