methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (2-keto-5-nitro-1-pyridyl)methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3/c1-20(15-22-14-17(23(25)26)9-10-19(22)24)13-16-7-3-4-8-18(16)21-11-5-2-6-12-21/h3-4,7-10,14H,2,5-6,11-13,15H2,1H3/p+1