butyl 2-methylprop-2-enoate; 5-(carboxy-ethyl-methyl-azaniumyl)-2-methylidene-pentanoate

Systemtic Name: butyl 2-methylprop-2-enoate; 5-(carboxy-ethyl-methyl-azaniumyl)-2-methylidene-pentanoate Openeye Name: butyl 2-methylprop-2-enoate; 5-(carboxy-ethyl-methyl-ammonio)-2-methylene-pentanoate CAS Name: 5-(carboxy-ethyl-methylammonio)-2-methylenepentanoate; 2-methyl-2-propenoic acid butyl ester IUPAC Name: butyl 2-methylprop-2-enoate; 5-(carboxy-ethyl-methylazaniumyl)-2-methylidenepentanoate Traditional Name: 2-[3-(carboxy-ethyl-methyl-ammonio)propyl]acrylate; 2-methylacrylic acid butyl ester Formula: C18H31NO6 MolecularWeight: 357.44184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C)C.CC[N+](C)(CCCC(=C)C(=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC(=O)C(=C)C.CC[N+](C)(CCCC(=C)C(=O)[O-])C(=O)O

InChI

InChI=1S/C10H17NO4.C8H14O2/c1-4-11(3,10(14)15)7-5-6-8(2)9(12)13;1-4-5-6-10-8(9)7(2)3/h2,4-7H2,1,3H3,(H-,12,13,14,15);2,4-6H2,1,3H3