(2-methylphenyl)methyl-[[5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (2-methylphenyl)methyl-[[5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[[5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-furyl]methyl]-(o-tolylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[[5-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-2-furanyl]methyl]-propan-2-ylammonium IUPAC Name: (2-methylphenyl)methyl-[[5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)furan-2-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-(2-methylbenzyl)-[[5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-furyl]methyl]ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3/c1-19(2)27(17-21-8-5-4-7-20(21)3)18-22-9-10-23(30-22)24(28)25-11-6-12-26-13-15-29-16-14-26/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,25,28)/p+2