2-[[(E)-3-(4-methoxycarbonyl-5-methyl-furan-2-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(4-methoxycarbonyl-5-methyl-furan-2-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(E)-3-(4-methoxycarbonyl-5-methyl-2-furyl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: 2-[[(E)-3-(4-methoxycarbonyl-5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(4-carbomethoxy-5-methyl-2-furyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=CC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C/C(=O)NCC[NH+](C(C)C)C(C)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4/c1-12(2)20(13(3)4)10-9-19-17(21)8-7-15-11-16(14(5)24-15)18(22)23-6/h7-8,11-13H,9-10H2,1-6H3,(H,19,21)/p+1/b8-7+