4-methoxy-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-methoxy-3-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-21-13-5-4-11(10-12(13)17(19)20)14(18)15-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)/p+1