4-nitro-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-benzamide

Systemtic Name: 4-nitro-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-benzamide Openeye Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-yl-benzamide CAS Name: 4-nitro-N-(phenylmethyl)-N-(2-pyridin-1-iumyl)benzamide IUPAC Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-ylbenzamide Traditional Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-yl-benzamide Formula: C19H16N3O3+ MolecularWeight: 334.34864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O3/c23-19(16-9-11-17(12-10-16)22(24)25)21(18-8-4-5-13-20-18)14-15-6-2-1-3-7-15/h1-13H,14H2/p+1