1-[2-(diphenylmethyl)oxyethyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[2-(diphenylmethyl)oxyethyl]-1,4-diazepan-4-ium Openeye Name: 1-(2-benzhydryloxyethyl)-1,4-diazepan-4-ium CAS Name: 1-[2-(diphenylmethyl)oxyethyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-benzhydryloxyethyl)-1,4-diazepan-4-ium Traditional Name: 1-(2-benzhydryloxyethyl)-1,4-diazepan-4-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-16-22-14-7-12-21-13-15-22/h1-6,8-11,20-21H,7,12-17H2/p+1