[(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 4-fluoranylbenzoate

Systemtic Name: [(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 4-fluoranylbenzoate Openeye Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(E)-[amino-[4-(1-piperidin-1-iumylmethyl)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] ester Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=NOC(=O)C3=CC=C(C=C3)F)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)/C(=N\OC(=O)C3=CC=C(C=C3)F)/N

InChI

InChI=1S/C20H22FN3O2/c21-18-10-8-17(9-11-18)20(25)26-23-19(22)16-6-4-15(5-7-16)14-24-12-2-1-3-13-24/h4-11H,1-3,12-14H2,(H2,22,23)/p+1