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

Systemtic Name: methyl-phenethyl-[[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,2-oxazol-5-yl]methyl]azanium Openeye Name: methyl-phenethyl-[[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]-phenethylammonium IUPAC Name: methyl-phenethyl-[[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,2-oxazol-5-yl]methyl]azanium Traditional Name: methyl-phenethyl-[[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoxazol-5-yl]methyl]ammonium Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H27N5O2/c1-26(12-10-19-7-3-2-4-8-19)18-20-17-21(25-30-20)23(29)28-15-13-27(14-16-28)22-9-5-6-11-24-22/h2-9,11,17H,10,12-16,18H2,1H3/p+2