methyl 2-[[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carbonyl]amino]acetate CAS Name: 2-[[oxo-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carbonyl]amino]acetic acid methyl ester Formula: C17H33N3O3+2 MolecularWeight: 327.46222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC(=O)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC(=O)OC

InChI

InChI=1S/C17H31N3O3/c1-13(2)19-9-6-15(7-10-19)20-8-4-5-14(12-20)17(22)18-11-16(21)23-3/h13-15H,4-12H2,1-3H3,(H,18,22)/p+2/t14-/m0/s1