2-(4-ethanoylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-ethanoylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H31N3O3/c1-16(25)17-5-7-20(8-6-17)27-15-21(26)22-18-4-3-11-24(14-18)19-9-12-23(2)13-10-19/h5-8,18-19H,3-4,9-15H2,1-2H3,(H,22,26)/p+2/t18-/m0/s1