(3R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)C(=O)NCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H33N3O3/c1-23-9-6-18(7-10-23)24-8-4-5-17(15-24)21(25)22-14-16-11-19(26-2)13-20(12-16)27-3/h11-13,17-18H,4-10,14-15H2,1-3H3,(H,22,25)/p+2/t17-/m1/s1