1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-19-13-5-4-12(10-14(13)20-2)11-15(18)17-8-3-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3/p+1