4-(2,3-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(2,3-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(2,3-dimethylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(2,3-dimethylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(2,3-dimethylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(2,3-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(=CC=C1)OCCCC(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13-5-3-6-15(14(13)2)20-12-4-7-16(19)18-10-8-17-9-11-18/h3,5-6,17H,4,7-12H2,1-2H3/p+1