4-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Openeye Name: 4-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate CAS Name: 4-nitro-2-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyliminomethyl]phenolate IUPAC Name: 4-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Traditional Name: 4-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]iminomethyl]phenolate Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O3/c23-19-8-7-18(22(24)25)11-17(19)13-20-12-15-3-5-16(6-4-15)14-21-9-1-2-10-21/h3-8,11,13,23H,1-2,9-10,12,14H2