(2R)-2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2R)-2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3,4-dimethylphenoxy)butan-1-one CAS Name: (2R)-2-(3,4-dimethylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2R)-2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3,4-dimethylphenoxy)butan-1-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H28N2O2/c1-5-9-20-10-12-21(13-11-20)19(22)18(6-2)23-17-8-7-15(3)16(4)14-17/h5,7-8,14,18H,1,6,9-13H2,2-4H3/p+1/t18-/m1/s1