2-[(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC[NH+](C(C)C)C(C)C)N2C=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC[NH+](C(C)C)C(C)C)N2C=CC=C2)C

InChI

InChI=1S/C19H29N3OS/c1-13(2)22(14(3)4)12-9-20-18(23)17-15(5)16(6)24-19(17)21-10-7-8-11-21/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,20,23)/p+1