N-(1,3-benzodioxol-5-yl)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H27N2O5+ MolecularWeight: 435.49228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H26N2O5/c1-30-19-5-2-16-3-6-22(28)21(20(16)13-19)14-27-10-8-17(9-11-27)25(29)26-18-4-7-23-24(12-18)32-15-31-23/h2-7,12-13,17,28H,8-11,14-15H2,1H3,(H,26,29)/p+1