[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [5-bromo-2-(4-chlorobenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C18H22BrClNO+ MolecularWeight: 383.73038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrClNO/c1-3-13(2)21-11-15-10-16(19)6-9-18(15)22-12-14-4-7-17(20)8-5-14/h4-10,13,21H,3,11-12H2,1-2H3/p+1/t13-/m0/s1