[2-(phenoxymethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: [2-(phenoxymethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone CAS Name: [2-(phenoxymethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2COC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2COC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c29-26(25-15-8-7-12-23(25)21-30-24-13-5-2-6-14-24)28-17-9-16-27(18-19-28)20-22-10-3-1-4-11-22/h1-8,10-15H,9,16-21H2/p+1