4-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methoxyethyl)-1-(4-phenylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-25-16-15-23-14-13-22(12-11-21(23)24)17-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3/p+1