1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium

Systemtic Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium Openeye Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium CAS Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium IUPAC Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium Traditional Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium Formula: C26H33BrN+ MolecularWeight: 439.45092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CCCCC1)CC=CCC2=CC=CC=C2Br)CC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br)/CC3=CC=CC=C3

InChI

InChI=1S/C26H33BrN/c1-23(22-24-12-4-2-5-13-24)17-21-28(18-9-3-10-19-28)20-11-8-15-25-14-6-7-16-26(25)27/h2,4-8,11-14,16-17H,3,9-10,15,18-22H2,1H3/q+1/b11-8+,23-17+