6-[1-(diphenylmethyl)-1,4-diazepan-1-ium-1-yl]-3-oxidanylidene-hexanoic acid

Systemtic Name: 6-[1-(diphenylmethyl)-1,4-diazepan-1-ium-1-yl]-3-oxidanylidene-hexanoic acid Openeye Name: 6-(1-benzhydryl-1,4-diazepan-1-ium-1-yl)-3-oxo-hexanoic acid CAS Name: 6-[1-(diphenylmethyl)-1,4-diazepan-1-ium-1-yl]-3-oxohexanoic acid IUPAC Name: 6-(1-benzhydryl-1,4-diazepan-1-ium-1-yl)-3-oxohexanoic acid Traditional Name: 6-(1-benzhydryl-1,4-diazepan-1-ium-1-yl)-3-keto-hexanoic acid Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[N+](C1)(CCCC(=O)CC(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CNCC[N+](C1)(CCCC(=O)CC(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c27-22(19-23(28)29)13-7-16-26(17-8-14-25-15-18-26)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,24-25H,7-8,13-19H2/p+1