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

Systemtic Name: methyl 2-[[(3S)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[(3S)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carbonyl]amino]acetate CAS Name: 2-[[oxo-[(3S)-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carbonyl]amino]acetic acid methyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CCC[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-28-21(26)16-23-22(27)19-8-5-12-25(17-19)20-10-14-24(15-11-20)13-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1