[(2S)-butan-2-yl]-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H23ClNO2S+ MolecularWeight: 340.88802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

InChI

InChI=1S/C17H22ClNO2S/c1-4-12(2)19-10-13-8-15(18)17(16(9-13)20-3)21-11-14-6-5-7-22-14/h5-9,12,19H,4,10-11H2,1-3H3/p+1/t12-/m0/s1