N-cyclopentyl-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopentyl-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopentyl-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)C(=O)NC3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)C(=O)NC3CCCC3

InChI

InChI=1S/C20H30N2O4/c1-25-17-11-14(12-18(26-2)19(17)23)13-22-9-7-15(8-10-22)20(24)21-16-5-3-4-6-16/h11-12,15-16,23H,3-10,13H2,1-2H3,(H,21,24)/p+1