N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-piperonyl-acetamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O4/c1-27-19-9-7-18(8-10-19)20-5-3-2-4-12-25(20)15-23(26)24-14-17-6-11-21-22(13-17)29-16-28-21/h6-11,13,20H,2-5,12,14-16H2,1H3,(H,24,26)/p+1/t20-/m1/s1