ethyl 3-[[3-(3-chloranylpropyl)-1-phenyl-pyrrol-1-ium-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[3-(3-chloranylpropyl)-1-phenyl-pyrrol-1-ium-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[3-(3-chloropropyl)-1-phenyl-pyrrol-1-ium-1-carbonyl]amino]propanoate CAS Name: 3-[[[3-(3-chloropropyl)-1-phenyl-1-pyrrol-1-iumyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3-chloropropyl)-1-phenylpyrrol-1-ium-1-carbonyl]amino]propanoate Traditional Name: 3-[[3-(3-chloropropyl)-1-phenyl-pyrrol-1-ium-1-carbonyl]amino]propionic acid ethyl ester Formula: C19H24ClN2O3+ MolecularWeight: 363.85846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)[N+]1(C=CC(=C1)CCCCl)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=O)[N+]1(C=CC(=C1)CCCCl)C2=CC=CC=C2

InChI

InChI=1S/C19H23ClN2O3/c1-2-25-18(23)10-13-21-19(24)22(17-8-4-3-5-9-17)14-11-16(15-22)7-6-12-20/h3-5,8-9,11,14-15H,2,6-7,10,12-13H2,1H3/p+1