[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2-methylallyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-methylallyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C18H26N2O4/c1-13(2)12-19-6-8-20(9-7-19)18(21)14-10-15(22-3)17(24-5)16(11-14)23-4/h10-11H,1,6-9,12H2,2-5H3/p+1