(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C[NH+]3CCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C[NH+]3CCCC3)Br)O

InChI

InChI=1S/C20H25BrN2O2/c1-25-19-11-17(10-18(21)20(19)24)13-22-12-15-4-6-16(7-5-15)14-23-8-2-3-9-23/h4-7,10-11,22,24H,2-3,8-9,12-14H2,1H3/p+2