[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C18H22Br2NO+ MolecularWeight: 428.18138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br2NO/c1-3-13(2)21-11-15-9-16(19)18(17(20)10-15)22-12-14-7-5-4-6-8-14/h4-10,13,21H,3,11-12H2,1-2H3/p+1/t13-/m0/s1