[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium CAS Name: [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Traditional Name: [2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C21H29N3O3/c1-4-6-16-8-10-17(11-9-16)20(15(2)3)22-14-19(25)24-21(26)23-13-18-7-5-12-27-18/h5,7-12,15,20,22H,4,6,13-14H2,1-3H3,(H2,23,24,25,26)/p+1/t20-/m0/s1