1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-[(5-chlorobenzothiophen-3-yl)methyl]-4-(1-oxidopyridin-1-ium-2-yl)piperazine CAS Name: 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(1-oxido-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(1-oxidopyridin-1-ium-2-yl)piperazine Traditional Name: 1-[(5-chlorobenzothiophen-3-yl)methyl]-4-(1-oxidopyridin-1-ium-2-yl)piperazine Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=C2C=C(C=C3)Cl)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC3=C2C=C(C=C3)Cl)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H18ClN3OS/c19-15-4-5-17-16(11-15)14(13-24-17)12-20-7-9-21(10-8-20)18-3-1-2-6-22(18)23/h1-6,11,13H,7-10,12H2