3-[1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide

Systemtic Name: 3-[1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide Openeye Name: 3-[1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide CAS Name: 3-[1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: 3-[1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropylpropanamide Traditional Name: 3-[1-(2-chloro-4,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-propionamide Formula: C20H30ClN2O3+ MolecularWeight: 381.9168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3)Cl)OC

InChI

InChI=1S/C20H29ClN2O3/c1-25-18-11-15(17(21)12-19(18)26-2)13-23-9-7-14(8-10-23)3-6-20(24)22-16-4-5-16/h11-12,14,16H,3-10,13H2,1-2H3,(H,22,24)/p+1