methyl-(phenylmethyl)-[[3-(quinolin-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[3-(quinolin-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]azanium Openeye Name: benzyl-methyl-[[3-(3-quinolylmethylcarbamoyl)isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[oxo-(3-quinolinylmethylamino)methyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-(quinolin-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-(3-quinolylmethylcarbamoyl)isoxazol-5-yl]methyl]ammonium Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H22N4O2/c1-27(15-17-7-3-2-4-8-17)16-20-12-22(26-29-20)23(28)25-14-18-11-19-9-5-6-10-21(19)24-13-18/h2-13H,14-16H2,1H3,(H,25,28)/p+1