(4-prop-2-enylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: (4-prop-2-enylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone CAS Name: (4-prop-2-enyl-1-piperazin-4-iumyl)-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-prop-2-enylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-asaryl-methanone Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC=C)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC=C)OC)OC

InChI

InChI=1S/C17H24N2O4/c1-5-6-18-7-9-19(10-8-18)17(20)13-11-15(22-3)16(23-4)12-14(13)21-2/h5,11-12H,1,6-10H2,2-4H3/p+1