[6-methoxy-2-(1-oxidanidylpyridin-1-ium-4-yl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [6-methoxy-2-(1-oxidanidylpyridin-1-ium-4-yl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-methoxy-2-(1-oxidopyridin-1-ium-4-yl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [6-methoxy-2-(1-oxido-4-pyridin-1-iumyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-methoxy-2-(1-oxidopyridin-1-ium-4-yl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-methoxy-2-(1-oxidopyridin-1-ium-4-yl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=[N+](C=C3)[O-])C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=[N+](C=C3)[O-])C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C28H28N2O4S/c1-33-23-9-10-24-25(19-23)35-28(21-11-15-30(32)16-12-21)26(24)27(31)20-5-7-22(8-6-20)34-18-17-29-13-3-2-4-14-29/h5-12,15-16,19H,2-4,13-14,17-18H2,1H3