4-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(3,4-dimethylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13-5-6-15(12-14(13)2)20-11-3-4-16(19)18-9-7-17-8-10-18/h5-6,12,17H,3-4,7-11H2,1-2H3/p+1