3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H24N2O2/c1-17-10-3-11-18(13-12-17)16(19)9-6-14-4-7-15(20-2)8-5-14/h4-5,7-8H,3,6,9-13H2,1-2H3/p+1