methyl 3-[1-[(3S)-1-ethylpiperidin-3-yl]piperidin-1-ium-4-yl]propanoate

Systemtic Name: methyl 3-[1-[(3S)-1-ethylpiperidin-3-yl]piperidin-1-ium-4-yl]propanoate Openeye Name: methyl 3-[1-[(3S)-1-ethyl-3-piperidyl]piperidin-1-ium-4-yl]propanoate CAS Name: 3-[1-[(3S)-1-ethyl-3-piperidinyl]-4-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[(3S)-1-ethylpiperidin-3-yl]piperidin-1-ium-4-yl]propanoate Traditional Name: 3-[1-[(3S)-1-ethyl-3-piperidyl]piperidin-1-ium-4-yl]propionic acid methyl ester Formula: C16H31N2O2+ MolecularWeight: 283.42954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)[NH+]2CCC(CC2)CCC(=O)OC

Isomeric SMILES

CCN1CCC[C@@H](C1)[NH+]2CCC(CC2)CCC(=O)OC

InChI

InChI=1S/C16H30N2O2/c1-3-17-10-4-5-15(13-17)18-11-8-14(9-12-18)6-7-16(19)20-2/h14-15H,3-13H2,1-2H3/p+1/t15-/m0/s1