2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-23-11-8-18(9-12-23)24-10-4-5-17(15-24)22-21(25)14-16-13-19(26-2)6-7-20(16)27-3/h6-7,13,17-18H,4-5,8-12,14-15H2,1-3H3,(H,22,25)/p+2/t17-/m0/s1