[(1S,2S)-2-[[4-(4-bromophenyl)carbonylphenoxy]methyl]cyclopropyl]methyl-cyclopropyl-prop-2-enyl-azanium

Systemtic Name: [(1S,2S)-2-[[4-(4-bromophenyl)carbonylphenoxy]methyl]cyclopropyl]methyl-cyclopropyl-prop-2-enyl-azanium Openeye Name: allyl-[[(1S,2S)-2-[[4-(4-bromobenzoyl)phenoxy]methyl]cyclopropyl]methyl]-cyclopropyl-ammonium CAS Name: [(1S,2S)-2-[[4-[(4-bromophenyl)-oxomethyl]phenoxy]methyl]cyclopropyl]methyl-cyclopropyl-prop-2-enylammonium IUPAC Name: [(1S,2S)-2-[[4-(4-bromobenzoyl)phenoxy]methyl]cyclopropyl]methyl-cyclopropyl-prop-2-enylazanium Traditional Name: allyl-[[(1S,2S)-2-[[4-(4-bromobenzoyl)phenoxy]methyl]cyclopropyl]methyl]-cyclopropyl-ammonium Formula: C24H27BrNO2+ MolecularWeight: 441.38068

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1CC1COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Br)C4CC4

Isomeric SMILES

C=CC[NH+](C[C@H]1C[C@@H]1COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Br)C4CC4

InChI

InChI=1S/C24H26BrNO2/c1-2-13-26(22-9-10-22)15-19-14-20(19)16-28-23-11-5-18(6-12-23)24(27)17-3-7-21(25)8-4-17/h2-8,11-12,19-20,22H,1,9-10,13-16H2/p+1/t19-,20-/m1/s1