3-[[4-[2-(4-chlorophenyl)ethanoyl]-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[2-(4-chlorophenyl)ethanoyl]-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[2-(4-chlorophenyl)-1-oxoethyl]-1H-pyrrol-2-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=CN1)C(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=CN1)C(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-22(2)9-3-8-20-18(24)16-11-14(12-21-16)17(23)10-13-4-6-15(19)7-5-13/h4-7,11-12,21H,3,8-10H2,1-2H3,(H,20,24)/p+1