(2,4-dimethoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C22H36N2O3+2 MolecularWeight: 376.53284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3/c1-4-11-23-13-9-18(10-14-23)24-12-5-6-17(16-24)22(25)20-8-7-19(26-2)15-21(20)27-3/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3/p+2/t17-/m0/s1