[(1-methylpiperidin-1-ium-4-ylidene)amino] 4-bromanylbenzoate

Systemtic Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-bromanylbenzoate Openeye Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1-methyl-4-piperidin-1-iumylidene)amino] ester IUPAC Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1-methylpiperidin-1-ium-4-ylidene)amino] ester Formula: C13H16BrN2O2+ MolecularWeight: 312.18234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NOC(=O)C2=CC=C(C=C2)Br)CC1

Isomeric SMILES

C[NH+]1CCC(=NOC(=O)C2=CC=C(C=C2)Br)CC1

InChI

InChI=1S/C13H15BrN2O2/c1-16-8-6-12(7-9-16)15-18-13(17)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3/p+1