1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(2-methoxy-4-methylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(2-methoxy-4-methylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-4-one Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC[NH+]2CCC(=O)CC2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC[NH+]2CCC(=O)CC2)OC

InChI

InChI=1S/C16H23NO3/c1-13-4-5-15(16(12-13)19-2)20-11-3-8-17-9-6-14(18)7-10-17/h4-5,12H,3,6-11H2,1-2H3/p+1