3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propanoate

Systemtic Name: 3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propanoate Openeye Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propanoate IUPAC Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)propanoate Traditional Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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