1-[3-methoxy-4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]ethanone Openeye Name: 1-[3-methoxy-4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]ethanone CAS Name: 1-[3-methoxy-4-[4-(1-piperidin-1-iumyl)butoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]ethanone Traditional Name: 1-[3-methoxy-4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]ethanone Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCC[NH+]2CCCCC2)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCC[NH+]2CCCCC2)OC

InChI

InChI=1S/C18H27NO3/c1-15(20)16-8-9-17(18(14-16)21-2)22-13-7-6-12-19-10-4-3-5-11-19/h8-9,14H,3-7,10-13H2,1-2H3/p+1