1,4-diazepan-4-ium-1-yl-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,4,5-trimethoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,4,5-trimethoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl(1,4-diazepan-4-ium-1-yl)methanone Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCC[NH2+]CC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCC[NH2+]CC2)OC)OC

InChI

InChI=1S/C15H22N2O4/c1-19-12-10-14(21-3)13(20-2)9-11(12)15(18)17-7-4-5-16-6-8-17/h9-10,16H,4-8H2,1-3H3/p+1