N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H24BrN2O4+ MolecularWeight: 448.33026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H23BrN2O4/c1-26-15-6-4-14(5-7-15)18-3-2-8-24(18)13-21(25)23-17-12-20-19(11-16(17)22)27-9-10-28-20/h4-7,11-12,18H,2-3,8-10,13H2,1H3,(H,23,25)/p+1/t18-/m1/s1