2-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(5-chloro-3-methyl-benzofuran-2-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(5-chloro-3-methyl-benzofuran-2-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C18H26ClN2O2+ MolecularWeight: 337.86424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C18H25ClN2O2/c1-11(2)21(12(3)4)9-8-20-18(22)17-13(5)15-10-14(19)6-7-16(15)23-17/h6-7,10-12H,8-9H2,1-5H3,(H,20,22)/p+1