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

Systemtic Name: (3-bromanyl-4-phenylmethoxy-phenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (4-benzyloxy-3-bromo-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(2S)-butan-2-yl]azanium Traditional Name: (4-benzoxy-3-bromo-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C18H23BrNO+ MolecularWeight: 349.28532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO/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