(6-bromanyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)-[(2,4-dimethoxyphenyl)methoxycarbonyl]-oxidanylidene-azanium

Systemtic Name: (6-bromanyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)-[(2,4-dimethoxyphenyl)methoxycarbonyl]-oxidanylidene-azanium Openeye Name: (6-bromo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-[(2,4-dimethoxyphenyl)methoxycarbonyl]-oxo-ammonium CAS Name: (6-bromo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-[(2,4-dimethoxyphenyl)methoxy-oxomethyl]-oxoammonium IUPAC Name: (6-bromo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-[(2,4-dimethoxyphenyl)methoxycarbonyl]-oxoazanium Traditional Name: (6-bromo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-(2,4-dimethoxybenzyl)oxycarbonyl-keto-ammonium Formula: C16H20BrN2O5+ MolecularWeight: 400.2444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)COC(=O)[N+](=O)C2CC=C(CNC2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)COC(=O)[N+](=O)C2CC=C(CNC2)Br)OC

InChI

InChI=1S/C16H20BrN2O5/c1-22-14-6-3-11(15(7-14)23-2)10-24-16(20)19(21)13-5-4-12(17)8-18-9-13/h3-4,6-7,13,18H,5,8-10H2,1-2H3/q+1