methyl-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H24N4O4/c1-22(14-16-5-7-17(8-6-16)23-11-3-2-4-12-23)15-24-19-13-18(25(27)28)9-10-20(19)29-21(24)26/h5-10,13H,2-4,11-12,14-15H2,1H3/p+1