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

Systemtic Name: methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: (2-keto-5-nitro-1-pyridyl)methyl-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-19(14-21-13-16(22(24)25)8-9-18(21)23)12-15-6-2-3-7-17(15)20-10-4-5-11-20/h2-3,6-9,13H,4-5,10-12,14H2,1H3/p+1