[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]phenyl]-thiophen-3-yl-methanone

Systemtic Name: [4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]phenyl]-thiophen-3-yl-methanone Openeye Name: [4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenyl]-(3-thienyl)methanone CAS Name: [4-[2-(1-oxido-1-piperidin-1-iumyl)ethoxy]phenyl]-(3-thiophenyl)methanone IUPAC Name: [4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenyl]-thiophen-3-ylmethanone Traditional Name: [4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenyl]-(3-thienyl)methanone Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOC2=CC=C(C=C2)C(=O)C3=CSC=C3)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCOC2=CC=C(C=C2)C(=O)C3=CSC=C3)[O-]

InChI

InChI=1S/C18H21NO3S/c20-18(16-8-13-23-14-16)15-4-6-17(7-5-15)22-12-11-19(21)9-2-1-3-10-19/h4-8,13-14H,1-3,9-12H2