[(2S)-butan-2-yl]-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C20H27ClNO2+ MolecularWeight: 348.88688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H26ClNO2/c1-4-15(3)22-13-17-11-18(21)20(19(12-17)23-5-2)24-14-16-9-7-6-8-10-16/h6-12,15,22H,4-5,13-14H2,1-3H3/p+1/t15-/m0/s1