(2S)-2-(3-methylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(3-methylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one CAS Name: (2S)-2-(3-methylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(3-methylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)CC=C

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CC[NH+](CC2)CC=C

InChI

InChI=1S/C17H24N2O2/c1-4-8-18-9-11-19(12-10-18)17(20)15(3)21-16-7-5-6-14(2)13-16/h4-7,13,15H,1,8-12H2,2-3H3/p+1/t15-/m0/s1