3-[[4-(4-tert-butylphenyl)carbonyl-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(4-tert-butylphenyl)carbonyl-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-tert-butylphenyl)-oxomethyl]-1H-pyrrol-2-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)17-9-7-15(8-10-17)19(25)16-13-18(23-14-16)20(26)22-11-6-12-24(4)5/h7-10,13-14,23H,6,11-12H2,1-5H3,(H,22,26)/p+1