(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC(=O)N2CCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC(=O)N2CCCC2)Br)O

InChI

InChI=1S/C15H21BrN2O3/c1-21-13-9-11(8-12(16)15(13)20)10-17-5-4-14(19)18-6-2-3-7-18/h8-9,17,20H,2-7,10H2,1H3/p+1