4-oxidanylidene-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]butanoate Openeye Name: 4-oxo-4-[4-(piperidin-1-ium-1-ylmethyl)anilino]butanoate CAS Name: 4-oxo-4-[4-(1-piperidin-1-iumylmethyl)anilino]butanoate IUPAC Name: 4-oxo-4-[4-(piperidin-1-ium-1-ylmethyl)anilino]butanoate Traditional Name: 4-keto-4-[4-(piperidin-1-ium-1-ylmethyl)anilino]butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c19-15(8-9-16(20)21)17-14-6-4-13(5-7-14)12-18-10-2-1-3-11-18/h4-7H,1-3,8-12H2,(H,17,19)(H,20,21)