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

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H22N2O2/c1-19-14-6-3-13(4-7-14)5-8-15(18)17-11-2-9-16-10-12-17/h3-4,6-7,16H,2,5,8-12H2,1H3/p+1