[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ium-1-ylpropyl)phenyl]methanone

Systemtic Name: [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ium-1-ylpropyl)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(3-piperidin-1-ium-1-ylpropyl)phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[3-(1-piperidin-1-iumyl)propyl]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ium-1-ylpropyl)phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(3-piperidin-1-ium-1-ylpropyl)phenyl]methanone Formula: C29H30NO3S+ MolecularWeight: 472.6184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CC[NH+](CC1)CCCC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C29H29NO3S/c31-23-12-10-22(11-13-23)29-27(25-15-14-24(32)19-26(25)34-29)28(33)21-8-6-20(7-9-21)5-4-18-30-16-2-1-3-17-30/h6-15,19,31-32H,1-5,16-18H2/p+1