4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-one

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-one Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-one CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-butanone IUPAC Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-one Traditional Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butan-2-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)CC[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C15H22N2O2/c1-13(18)6-7-16-8-10-17(11-9-16)14-4-3-5-15(12-14)19-2/h3-5,12H,6-11H2,1-2H3/p+1