4-(4-methylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(4-methylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(4-methylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(4-methylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(4-methylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(4-methylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N2O2/c1-13-4-6-14(7-5-13)19-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3/p+1