1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,6-dimethoxyphenyl)methanone Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-18-11-5-3-6-12(19-2)13(11)14(17)16-9-4-7-15-8-10-16/h3,5-6,15H,4,7-10H2,1-2H3/p+1