N-cycloheptyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cycloheptyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cycloheptyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cycloheptyl-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3)O

InChI

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