4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butanoate Openeye Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butanoate IUPAC Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxobutanoate Traditional Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-keto-butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CCC(=O)[O-])CC2=CC=CC=C2

InChI

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