3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propanoate

Systemtic Name: 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propanoate Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propanoate CAS Name: 3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propanoate IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propanoate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NCCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NCCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c18-15(19)6-9-16-14-7-10-17(11-8-14)12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,18,19)