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

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-chloro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-chloro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C18H23ClNO+ MolecularWeight: 304.83432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO/c1-3-14(2)20-12-16-9-10-18(17(19)11-16)21-13-15-7-5-4-6-8-15/h4-11,14,20H,3,12-13H2,1-2H3/p+1/t14-/m0/s1