1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3,4-dimethoxyphenyl)methanone Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-18-12-5-4-11(10-13(12)19-2)14(17)16-8-3-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3/p+1