[5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]furan-2-yl]methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]furan-2-yl]methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[[5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]-2-furyl]methyl]ammonium CAS Name: [5-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]-2-furanyl]methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[[5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]furan-2-yl]methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[[5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]-2-furyl]methyl]ammonium Formula: C25H39N3O2+2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)C[NH+](CC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)C[NH+](CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H37N3O2/c1-20(2)28(18-22-11-5-4-6-12-22)19-23-13-14-24(30-23)25(29)26-15-9-17-27-16-8-7-10-21(27)3/h4-6,11-14,20-21H,7-10,15-19H2,1-3H3,(H,26,29)/p+2/t21-/m0/s1