ethyl 7-phenanthridin-5-ium-5-ylheptanoate chloride

Systemtic Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate chloride Openeye Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate chloride CAS Name: 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester chloride IUPAC Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate chloride Traditional Name: 7-phenanthridin-5-ium-5-ylenanthic acid ethyl ester chloride Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[Cl-]

Isomeric SMILES

CCOC(=O)CCCCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C22H26NO2.ClH/c1-2-25-22(24)15-5-3-4-10-16-23-17-18-11-6-7-12-19(18)20-13-8-9-14-21(20)23;/h6-9,11-14,17H,2-5,10,15-16H2,1H3;1H/q+1;/p-1