N-(1,3-benzodioxol-5-yl)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H26ClN2O5+ MolecularWeight: 445.91594

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)Cl)OC1

InChI

InChI=1S/C23H25ClN2O5/c24-18-10-15(11-21-22(18)29-9-1-8-28-21)13-26-6-4-16(5-7-26)23(27)25-17-2-3-19-20(12-17)31-14-30-19/h2-3,10-12,16H,1,4-9,13-14H2,(H,25,27)/p+1