(E)-2-methyl-3-[4-methyl-1-(3-oxidanylpropyl)piperazin-1-ium-1-yl]prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-[4-methyl-1-(3-oxidanylpropyl)piperazin-1-ium-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-hydroxypropyl)-4-methyl-piperazin-1-ium-1-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-(3-hydroxypropyl)-4-methyl-1-piperazin-1-iumyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-(3-hydroxypropyl)-4-methylpiperazin-1-ium-1-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[1-(3-hydroxypropyl)-4-methyl-piperazin-1-ium-1-yl]-2-methyl-acrylic acid Formula: C12H23N2O3+ MolecularWeight: 243.32262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+]1(CCN(CC1)C)CCCO)C(=O)O

Isomeric SMILES

C/C(=C\[N+]1(CCN(CC1)C)CCCO)/C(=O)O

InChI

InChI=1S/C12H22N2O3/c1-11(12(16)17)10-14(6-3-9-15)7-4-13(2)5-8-14/h10,15H,3-9H2,1-2H3/p+1/b11-10+