4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]but-2-enoate

Systemtic Name: 4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]but-2-enoate Openeye Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-oxo-but-2-enoate CAS Name: 4-oxo-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2-butenoate IUPAC Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-oxobut-2-enoate Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-keto-but-2-enoate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C=CC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C=CC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c19-15(6-7-16(20)21)17-14-8-10-18(11-9-14)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,17,19)(H,20,21)