ethyl N-[5-(3-bromanylpropyl)-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate bromide

Systemtic Name: ethyl N-[5-(3-bromanylpropyl)-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate bromide Openeye Name: ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate bromide CAS Name: N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenyl-8-phenanthridin-5-iumyl]carbamic acid ethyl ester bromide IUPAC Name: ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate bromide Traditional Name: N-[5-(3-bromopropyl)-3-(carbethoxyamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamic acid ethyl ester bromide Formula: C28H29Br2N3O4 MolecularWeight: 631.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC)CCCBr)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC)CCCBr)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H28BrN3O4.BrH/c1-3-35-27(33)30-20-11-13-22-23-14-12-21(31-28(34)36-4-2)18-25(23)32(16-8-15-29)26(24(22)17-20)19-9-6-5-7-10-19;/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,30,33);1H