4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25N3O4/c1-27-16-9-10-19(28-2)17(12-16)18-4-3-11-24(18)13-20(25)23-15-7-5-14(6-8-15)21(22)26/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,22,26)(H,23,25)/p+1/t18-/m1/s1