methyl 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-(1-pyrrolidinyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyrrolidin-1-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyrrolidino-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C18H33N2O2+ MolecularWeight: 309.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(C(C1)CCC(=O)OC)N2CCCC2

Isomeric SMILES

C/C=C(\C)/C[NH+]1CC[C@H]([C@H](C1)CCC(=O)OC)N2CCCC2

InChI

InChI=1S/C18H32N2O2/c1-4-15(2)13-19-12-9-17(20-10-5-6-11-20)16(14-19)7-8-18(21)22-3/h4,16-17H,5-14H2,1-3H3/p+1/b15-4+/t16-,17+/m0/s1