[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 4-bromanylbenzoate

Systemtic Name: [[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 4-bromanylbenzoate Openeye Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1-benzylpiperidin-1-ium-4-ylidene)amino] ester Formula: C19H20BrN2O2+ MolecularWeight: 388.2783

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NOC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NOC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O2/c20-17-8-6-16(7-9-17)19(23)24-21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1