4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butanoate Openeye Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butanoate IUPAC Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-keto-butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c19-15(6-7-16(20)21)17-14-8-10-18(11-9-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,19)(H,20,21)