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

Systemtic Name: [[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] benzoate Openeye Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] benzoate CAS Name: benzoic acid [[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] benzoate Traditional Name: benzoic acid [(1-benzylpiperidin-1-ium-4-ylidene)amino] ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2/c22-19(17-9-5-2-6-10-17)23-20-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2/p+1