methyl-(phenylmethyl)-[[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,2-oxazol-5-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,2-oxazol-5-yl]methyl]azanium Openeye Name: benzyl-methyl-[[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoxazol-5-yl]methyl]ammonium Formula: C22H27N5O2+2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H25N5O2/c1-25(16-18-7-3-2-4-8-18)17-19-15-20(24-29-19)22(28)27-13-11-26(12-14-27)21-9-5-6-10-23-21/h2-10,15H,11-14,16-17H2,1H3/p+2