1-methyl-4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(3-phenoxybenzyl)-1,4-diazepan-4-ium Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O/c1-20-11-6-12-21(14-13-20)16-17-7-5-10-19(15-17)22-18-8-3-2-4-9-18/h2-5,7-10,15H,6,11-14,16H2,1H3/p+1