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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO2/c1-5-15(3)22-12-17-10-18(21)20(19(11-17)23-4)24-13-16-8-6-14(2)7-9-16/h6-11,15,22H,5,12-13H2,1-4H3/p+1/t15-/m0/s1