[(2S)-butan-2-yl]-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]azanium Openeye Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[(1S)-1-methylpropyl]ammonium Formula: C16H21ClNO+ MolecularWeight: 278.79704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC=C(O1)C2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC=C(O1)C2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H20ClNO/c1-4-11(2)18-10-13-8-9-16(19-13)14-6-5-7-15(17)12(14)3/h5-9,11,18H,4,10H2,1-3H3/p+1/t11-/m0/s1