(2S)-2-(2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2S)-2-(2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2S)-2-(2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: (2S)-2-(2-methylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2S)-2-(2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)C)OC2=CC=CC=C2C

Isomeric SMILES

CC[C@@H](C(=O)N1CC[NH+](CC1)C)OC2=CC=CC=C2C

InChI

InChI=1S/C16H24N2O2/c1-4-14(20-15-8-6-5-7-13(15)2)16(19)18-11-9-17(3)10-12-18/h5-8,14H,4,9-12H2,1-3H3/p+1/t14-/m0/s1