4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: 4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide CAS Name: 4-[[3-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: 4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-27-18-10-6-15(7-11-18)19-3-2-13-24(19)14-12-20(25)23-17-8-4-16(5-9-17)21(22)26/h4-11,19H,2-3,12-14H2,1H3,(H2,22,26)(H,23,25)/p+1/t19-/m1/s1