N-cycloheptyl-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cycloheptyl-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cycloheptyl-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cycloheptyl-1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H34N2O3/c1-26-20-9-10-21(27-2)18(15-20)16-24-13-11-17(12-14-24)22(25)23-19-7-5-3-4-6-8-19/h9-10,15,17,19H,3-8,11-14,16H2,1-2H3,(H,23,25)/p+1