(4-methylphenyl)methyl-(phenylmethyl)-[[5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]azanium

Systemtic Name: (4-methylphenyl)methyl-(phenylmethyl)-[[5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: benzyl-(p-tolylmethyl)-[[5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: (4-methylphenyl)methyl-[[5-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-2-furanyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-methylphenyl)methyl]-[[5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: benzyl-(4-methylbenzyl)-[[5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-furyl]methyl]ammonium Formula: C27H35N3O2+2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C27H33N3O2/c1-22-9-11-24(12-10-22)20-30(19-23-7-3-2-4-8-23)21-25-13-14-26(32-25)27(31)28-15-18-29-16-5-6-17-29/h2-4,7-14H,5-6,15-21H2,1H3,(H,28,31)/p+2