(4-methylpiperazin-4-ium-1-yl)-[3-(2-methylpropoxy)phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: (3-isobutoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: (3-isobutoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N2O2/c1-13(2)12-20-15-6-4-5-14(11-15)16(19)18-9-7-17(3)8-10-18/h4-6,11,13H,7-10,12H2,1-3H3/p+1