(2-methylphenyl)methyl-[[5-(2-morpholin-4-ium-4-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (2-methylphenyl)methyl-[[5-(2-morpholin-4-ium-4-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[[5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-furyl]methyl]-(o-tolylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[[5-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-2-furanyl]methyl]-propan-2-ylammonium IUPAC Name: (2-methylphenyl)methyl-[[5-(2-morpholin-4-ium-4-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-(2-methylbenzyl)-[[5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-furyl]methyl]ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)NCC[NH+]3CCOCC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)NCC[NH+]3CCOCC3)C(C)C

InChI

InChI=1S/C23H33N3O3/c1-18(2)26(16-20-7-5-4-6-19(20)3)17-21-8-9-22(29-21)23(27)24-10-11-25-12-14-28-15-13-25/h4-9,18H,10-17H2,1-3H3,(H,24,27)/p+2