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

Systemtic Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O2/c1-22-12-9-18(10-13-22)23-11-3-4-17(15-23)21-20(24)14-16-5-7-19(25-2)8-6-16/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)/p+2/t17-/m0/s1