[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-prop-2-enyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-prop-2-enylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC=C)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC=C)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C20H24BrNO2/c1-4-10-22-13-17-11-18(21)20(19(12-17)23-5-2)24-14-16-8-6-15(3)7-9-16/h4,6-9,11-12,22H,1,5,10,13-14H2,2-3H3/p+1