4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-4-ol Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)C/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O3/c21-18-9-7-17(8-10-18)20(24)11-14-22(15-12-20)13-3-5-16-4-1-2-6-19(16)23(25)26/h1-10,24H,11-15H2/p+1/b5-3+